SCHEMBL17837006

SCHEMBL17837006

COc1ccc2c(c1)CCCN2c1nc(C)nc2oc(C)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 11/20 1.00
EGFR P00533 10/20 1.00
KDR P35968 10/20 1.00
PDGFRA P16234 2/20 1.00
TUBB4A P04350 14/20 0.67
TUBB P07437 14/20 0.67
TUBA3C P0DPH7 14/20 0.67
TUBA1B P68363 14/20 0.67
TUBA4A P68366 14/20 0.67
TUBB4B P68371 14/20 0.67
TUBB3 Q13509 14/20 0.67
TUBB2A Q13885 14/20 0.67
TUBB8 Q3ZCM7 14/20 0.67
TUBA3E Q6PEY2 14/20 0.67
TUBA1A Q71U36 14/20 0.67
TUBA1C Q9BQE3 14/20 0.67
TUBB6 Q9BUF5 14/20 0.67
TUBB2B Q9BVA1 14/20 0.67
TUBB1 Q9H4B7 14/20 0.67

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
SCHEMBL17837010 0.95 EGFR (1.00) PDGFRBEGFRKDRPDGFRATUBB4A
SCHEMBL22432673 0.88 PDGFRB (0.78) PDGFRBEGFRKDRPDGFRATUBB4A
SCHEMBL22432671 0.83 EGFR (0.71) PDGFRBEGFRKDRPDGFRATUBB4A
SCHEMBL16622703 0.81 TUBB4A (1.00) PDGFRBEGFRKDRPDGFRATUBB4A
SCHEMBL18551428 0.79 TUBB4A (0.67) PDGFRBEGFRKDRPDGFRATUBB4A
SCHEMBL16612258 0.78 TUBB4A (0.72) PDGFRBEGFRKDRPDGFRATUBB4A
SCHEMBL16612695 0.78 TUBB4A (0.76) PDGFRBEGFRKDRPDGFRATUBB4A
SCHEMBL16612578 0.78 TUBB4A (0.76) PDGFRBEGFRKDRPDGFRATUBB4A
SCHEMBL19242608 0.77 EGFR (0.69) PDGFRBEGFRKDRPDGFRATUBB4A
SCHEMBL19319608 0.77 TUBB4A (0.65) PDGFRBEGFRKDRPDGFRATUBB4A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200290976-A1 RADIOLABELED MICROTUBULE IMAGING COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2020-09-17 US disclosed
US-10189853-B2 Conformationally restricted 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as anti-tumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-01-29 US disclosed
US-10189853-B2 Conformationally restricted 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as anti-tumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-01-29 US disclosed
US-20170369500-A1 CONFORMATIONALLY RESTRICTED 4-SUBSTITUTED-2,6-DIMETHYLFURO[2,3-d]PYRIMIDINES AS ANTI-TUMOR AGENTS DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-12-28 US disclosed
US-20170369500-A1 CONFORMATIONALLY RESTRICTED 4-SUBSTITUTED-2,6-DIMETHYLFURO[2,3-d]PYRIMIDINES AS ANTI-TUMOR AGENTS DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-12-28 US disclosed
US-9777012-B2 Substituted furo[2,3-d]pyrimidines as multi-targeted receptor tyrosine kinase inhibitors and microtubule targeting antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-10-03 US disclosed
US-9777012-B2 Substituted furo[2,3-d]pyrimidines as multi-targeted receptor tyrosine kinase inhibitors and microtubule targeting antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-10-03 US disclosed
US-9777012-B2 Substituted furo[2,3-d]pyrimidines as multi-targeted receptor tyrosine kinase inhibitors and microtubule targeting antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-10-03 US disclosed
WO-2016100495-A1 CONFORMATIONALLY RESTRICTED 4-SUBSTITUTED-2,6-DIMETHYLFURO[2,3-d]PYRIMIDINES AS ANTITUMOR AGENTS DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2016-06-23 WO disclosed
US-20160176891-A1 Conformationally Restricted 4-Substituted-2,6-dimethylfuro[2,3-d]pyrimidines as Multi-targeted Receptor Tyrosine Kinase Inhibitors and Microtubule Targeting Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2016-06-23 US disclosed
US-20160176891-A1 Conformationally Restricted 4-Substituted-2,6-dimethylfuro[2,3-d]pyrimidines as Multi-targeted Receptor Tyrosine Kinase Inhibitors and Microtubule Targeting Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2016-06-23 US disclosed
US-20160176891-A1 Conformationally Restricted 4-Substituted-2,6-dimethylfuro[2,3-d]pyrimidines as Multi-targeted Receptor Tyrosine Kinase Inhibitors and Microtubule Targeting Antitumor Agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2016-06-23 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 (4 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-20160176891-A1 Conformationally Restricted 4-Substituted-2,6-dimethylfuro[2,3-d]pyrimidines as Multi-targeted Receptor Tyrosine Kinase Inhibitors and Microtubule Targeting Antitumor Agents ERBB2, MAP2, TUBB6 PDGFRB 232/4885EGFR 8/4885KDR 167/4885
US-20170369500-A1 CONFORMATIONALLY RESTRICTED 4-SUBSTITUTED-2,6-DIMETHYLFURO[2,3-d]PYRIMIDINES AS ANTI-TUMOR AGENTS ERBB2, DCK, DHFR PDGFRB 394/4885EGFR 38/4885KDR 402/4885
US-10189853-B2 Conformationally restricted 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as anti-tumor agents ERBB2, DCK, DHFR PDGFRB 394/4885EGFR 38/4885KDR 402/4885
US-20200290976-A1 RADIOLABELED MICROTUBULE IMAGING COMPOUNDS AND USES THEREOF TUBB3, MAP2, MAPT PDGFRB 944/4885EGFR 1574/4885KDR 1248/4885

“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.