SCHEMBL4035583

SCHEMBL4035583

O=S(=O)(c1ccccc1)c1ccccc1Nc1ncnc2ccc(N=C3OCCN3C3CC3)cc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
TP53 P04637 1/20 0.37
IRAK4 Q9NWZ3 14/20 0.35
CDK7 P50613 1/20 0.34
CNR1 P21554 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL4035578 0.89 EGFR (0.48) EGFRIRAK4KDM4EUSP2CYP1A2
SCHEMBL2984608 0.89 EGFR (0.48) EGFRIRAK4KDM4EUSP2CYP1A2
SCHEMBL2994916 0.88 EGFR (0.38) EGFRTP53KDM4EUSP2CYP1A2
SCHEMBL4043561 0.77 EGFR (0.36) EGFRTP53CDK7BTK
SCHEMBL2994910 0.76 EGFR (0.50) EGFRKDM4EUSP2CYP1A2CYP3A4
SCHEMBL2994908 0.76 EGFR (0.50) EGFRKDM4EUSP2CYP1A2CYP3A4
SCHEMBL2987644 0.72 EGFR (0.61) EGFRKDM4EUSP2CYP1A2CYP3A4
SCHEMBL3324105 0.67 EGFR (0.49) EGFRCDK7CYP1A2CYP2D6CYP2C9
SCHEMBL6773322 0.66 USP2 (0.43) KDM4EUSP2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6768789 0.66 USP2 (0.43) KDM4EUSP2CYP1A2CYP3A4CYP2D6

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-7501427-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2009-03-10 US claimed
US-7585975-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2009-09-08 US disclosed
US-7501427-B2 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2009-03-10 US disclosed
US-20080194558-A1 Quinazoline analogs as receptor Tyrosine Kinase inhibitors ARRAY BIOPHARM, INC. (US) 2008-08-14 US disclosed
US-20050101616-A1 Quinazoline analogs as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA, INC. 2005-05-12 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 (2 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-20080194558-A1 Quinazoline analogs as receptor Tyrosine Kinase inhibitors ABL1, ERBB2, FLT3 EGFR 8/4885TP53 166/4885IRAK4 458/4885
US-20050101616-A1 Quinazoline analogs as receptor tyrosine kinase inhibitors ABL1, ERBB2, FLT3 EGFR 8/4885TP53 166/4885IRAK4 458/4885

“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.