SCHEMBL18158226

SCHEMBL18158226

Cc1nc2c(c(N(C)c3ccc4c(c3)CCO4)n1)CCC2

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.62
▸ KDR P35968 4/20 0.62
▸ PDGFRB P09619 3/20 0.62
▸ TUBB3 Q13509 9/20 0.57
▸ ABCB1 P08183 4/20 0.57
▸ PDGFRA P16234 3/20 0.51
▸ HDAC1 Q13547 4/20 0.47
▸ HDAC8 Q9BY41 4/20 0.47
▸ HDAC6 Q9UBN7 4/20 0.47
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ CYP11B2 P19099 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18158229 0.77 TUBB3 (0.75) EGFRKDRPDGFRBTUBB3ABCB1
SCHEMBL19033040 0.77 EGFR (0.62) EGFRKDRPDGFRBPDGFRAADRA2A
SCHEMBL17837028 0.77 KDR (1.00) EGFRKDRPDGFRBPDGFRAADRA2A
SCHEMBL18158223 0.75 TUBB3 (0.68) EGFRKDRPDGFRBTUBB3ABCB1
SCHEMBL18540799 0.75 KDR (0.66) EGFRKDRPDGFRBTUBB3PDGFRA
SCHEMBL18163771 0.75 TUBB3 (0.71) TUBB3ABCB1HDAC1HDAC8HDAC6
SCHEMBL18163756 0.75 TUBB3 (0.71) TUBB3ABCB1HDAC1HDAC8HDAC6
SCHEMBL18163727 0.75 TUBB3 (0.71) EGFRKDRPDGFRBTUBB3ABCB1
SCHEMBL18158227 0.75 TUBB3 (0.72) EGFRKDRPDGFRBTUBB3ABCB1
SCHEMBL13309580 0.74 TUBB3 (0.71) EGFRKDRPDGFRBTUBB3ABCB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124520-B2 Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibitor and antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-09-21 — — US disclosed
US-20200181152-A1 Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2020-06-11 — — US disclosed
US-10538527-B2 Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibition and antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-01-21 — — US disclosed
US-20190241571-A1 Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2019-08-08 — — US disclosed
US-10239880-B2 Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibition and antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-03-26 — — US disclosed
US-20160304525-A1 Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2016-10-20 — — US disclosed
US-20160304525-A1 Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2016-10-20 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160304525-A1 Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents FOLR1, TUBB1, TUBA1C EGFR 20/4885KDR 89/4885PDGFRB 35/4885
US-20200181152-A1 Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents FOLR1, DHFR, TUBB3 EGFR 37/4885KDR 143/4885PDGFRB 45/4885
US-20190241571-A1 Cyclopenta[d]pyrimidines And Substituted Cyclopenta[d]pyrimidines As Antitubulin and Microtubule Targeting Agents, Monocyclic Pyrimidines As Tubulin Inhibitors, And Pyrrolopyrimidines As Targeted Antifolates And Tubulin and Multiple Receptor Tyrosine Kinase Inhibition And Antitumor Agents TUBB, TUBB1, TUBA1C EGFR 29/4885KDR 119/4885PDGFRB 34/4885
US-10239880-B2 Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibition and antitumor agents FOLR1, TUBB1, TUBA1C EGFR 20/4885KDR 89/4885PDGFRB 35/4885
US-11124520-B2 Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibitor and antitumor agents FOLR1, DHFR, TUBB3 EGFR 37/4885KDR 147/4885PDGFRB 45/4885
US-10538527-B2 Cyclopenta[d]pyrimidines and substituted cyclopenta[d]pyrimidines as antitubulin and microtubule targeting agents, monocyclic pyrimidines as tubulin inhibitors, and pyrrolopyrimidines as targeted antifolates and tubulin and multiple receptor tyrosine kinase inhibition and antitumor agents TUBB, TUBB1, TUBA1C EGFR 29/4885KDR 119/4885PDGFRB 34/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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