SCHEMBL17837005

SCHEMBL17837005

Cc1nc(N(C)c2ccc3c(c2)OCO3)c2cc(C)oc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 16/20 1.00
▸ EGFR P00533 15/20 1.00
▸ PDGFRB P09619 14/20 1.00
▸ PDGFRA P16234 10/20 1.00
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38

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
SCHEMBL17837028 0.82 KDR (1.00) KDREGFRPDGFRBPDGFRAADRA2A
SCHEMBL5107707 0.80 EGFR (0.67) KDREGFRPDGFRBPDGFRAUSP2
SCHEMBL22432432 0.78 KDR (0.71) KDREGFRPDGFRBPDGFRAKDM4E
SCHEMBL17837022 0.76 KDR (1.00) KDREGFRPDGFRBPDGFRA
SCHEMBL13276054 0.75 KDR (0.68) KDREGFRPDGFRBPDGFRA
SCHEMBL3124173 0.75 KDR (1.00) KDREGFRPDGFRBPDGFRA
SCHEMBL17837014 0.75 KDR (1.00) KDREGFRPDGFRBPDGFRA
SCHEMBL17837009 0.72 EGFR (0.63) KDREGFRPDGFRBPDGFRALMNA
SCHEMBL17858425 0.72 KDR (1.00) KDREGFRPDGFRBPDGFRA
SCHEMBL17837008 0.72 KDR (1.00) KDREGFRPDGFRBPDGFRA

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-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-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

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

For each of this compound's patents that has machine-readable text (3 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 KDR 167/4885EGFR 8/4885PDGFRB 232/4885
US-20170369500-A1 CONFORMATIONALLY RESTRICTED 4-SUBSTITUTED-2,6-DIMETHYLFURO[2,3-d]PYRIMIDINES AS ANTI-TUMOR AGENTS ERBB2, DCK, DHFR KDR 402/4885EGFR 38/4885PDGFRB 394/4885
US-10189853-B2 Conformationally restricted 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as anti-tumor agents ERBB2, DCK, DHFR KDR 402/4885EGFR 38/4885PDGFRB 394/4885

“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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