SCHEMBL17837010

SCHEMBL17837010

COc1ccc2c(c1)CCN2c1nc(C)nc2oc(C)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 1.00
PDGFRB P09619 12/20 1.00
KDR P35968 12/20 1.00
PDGFRA P16234 5/20 0.90
TUBB4A P04350 8/20 0.59
TUBB P07437 8/20 0.59
TUBA3C P0DPH7 8/20 0.59
TUBA1B P68363 8/20 0.59
TUBA4A P68366 8/20 0.59
TUBB4B P68371 8/20 0.59
TUBB3 Q13509 8/20 0.59
TUBB2A Q13885 8/20 0.59
TUBB8 Q3ZCM7 8/20 0.59
TUBA3E Q6PEY2 8/20 0.59
TUBA1A Q71U36 8/20 0.59
TUBA1C Q9BQE3 8/20 0.59
TUBB6 Q9BUF5 8/20 0.59
TUBB2B Q9BVA1 8/20 0.59
TUBB1 Q9H4B7 8/20 0.59
SRD5A1 P18405 1/20 0.45

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
SCHEMBL17837006 0.95 PDGFRB (1.00) EGFRPDGFRBKDRPDGFRATUBB4A
SCHEMBL22432673 0.82 PDGFRB (0.78) EGFRPDGFRBKDRPDGFRATUBB4A
SCHEMBL19242608 0.82 EGFR (0.69) EGFRPDGFRBKDRPDGFRATUBB4A
SCHEMBL16622677 0.79 TUBB4A (0.89) EGFRPDGFRBKDRPDGFRATUBB4A
SCHEMBL22432671 0.77 EGFR (0.71) EGFRPDGFRBKDRPDGFRATUBB4A
SCHEMBL16622703 0.74 TUBB4A (1.00) EGFRPDGFRBKDRPDGFRATUBB4A
SCHEMBL18551428 0.73 TUBB4A (0.67) EGFRPDGFRBKDRPDGFRATUBB4A
SCHEMBL17837026 0.72 PDGFRB (1.00) EGFRPDGFRBKDRPDGFRA
SCHEMBL16612695 0.72 TUBB4A (0.76) EGFRPDGFRBKDRPDGFRATUBB4A
SCHEMBL16612578 0.72 TUBB4A (0.76) EGFRPDGFRBKDRPDGFRATUBB4A

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 13 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
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 EGFR 8/4885PDGFRB 232/4885KDR 167/4885
US-20170369500-A1 CONFORMATIONALLY RESTRICTED 4-SUBSTITUTED-2,6-DIMETHYLFURO[2,3-d]PYRIMIDINES AS ANTI-TUMOR AGENTS ERBB2, DCK, DHFR EGFR 38/4885PDGFRB 394/4885KDR 402/4885
US-10189853-B2 Conformationally restricted 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as anti-tumor agents ERBB2, DCK, DHFR EGFR 38/4885PDGFRB 394/4885KDR 402/4885
US-20200290976-A1 RADIOLABELED MICROTUBULE IMAGING COMPOUNDS AND USES THEREOF TUBB3, MAP2, MAPT EGFR 1574/4885PDGFRB 944/4885KDR 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.