SCHEMBL17837024

SCHEMBL17837024

COc1cc(Nc2nc(C)nc3oc(C)cc23)cc(OC)c1OC

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.68
▸ KDR P35968 11/20 0.68
▸ PDGFRB P09619 9/20 0.68
▸ PDGFRA P16234 5/20 0.60
▸ GAK O14976 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ LCK P06239 3/20 0.44
▸ POLB P06746 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL17837016 0.87 EGFR (0.73) EGFRKDRPDGFRBPDGFRALCK
SCHEMBL17837013 0.77 EGFR (0.70) EGFRKDRPDGFRBPDGFRA
SCHEMBL2256420 0.76 POLB (0.67) GAKPOLBRAD52TSHR
SCHEMBL17837012 0.75 PDGFRB (1.00) EGFRKDRPDGFRBPDGFRAALDH1A1
SCHEMBL13276260 0.73 EGFR (0.71) EGFRKDRPDGFRBPDGFRAALDH1A1
SCHEMBL17837021 0.73 KDR (0.75) EGFRKDRPDGFRBPDGFRAPOLB
SCHEMBL17860686 0.73 KDR (0.62) EGFRKDRPDGFRBPDGFRAGAA
SCHEMBL17837027 0.71 KDR (0.72) EGFRKDRPDGFRBPDGFRAGAA
SCHEMBL17837007 0.70 KDR (0.63) EGFRKDRPDGFRBPDGFRATSHR
SCHEMBL17837009 0.70 EGFR (0.63) EGFRKDRPDGFRBPDGFRATSHR

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 5 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
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

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 EGFR 8/4885KDR 167/4885PDGFRB 232/4885
US-20170369500-A1 CONFORMATIONALLY RESTRICTED 4-SUBSTITUTED-2,6-DIMETHYLFURO[2,3-d]PYRIMIDINES AS ANTI-TUMOR AGENTS ERBB2, DCK, DHFR EGFR 38/4885KDR 402/4885PDGFRB 394/4885
US-10189853-B2 Conformationally restricted 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as anti-tumor agents ERBB2, DCK, DHFR EGFR 38/4885KDR 402/4885PDGFRB 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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