SCHEMBL2987644

SCHEMBL2987644

Nc1ccc2ncnc(Nc3ccccc3S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.61
BRAF P15056 2/20 0.52
TNNI3K Q59H18 1/20 0.52
ERBB2 P04626 4/20 0.49
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAF1 P04049 1/20 0.43
AHR P35869 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL2987637 0.84 EGFR (0.73) EGFRBRAFTNNI3KERBB2KDM4E
SCHEMBL3324105 0.81 EGFR (0.49) EGFRBRAFTNNI3KCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL3320011 0.78 EGFR (0.46) EGFRMEN1KMT2A
SCHEMBL6773322 0.78 USP2 (0.43) BRAFKDM4EMAPK1HTTCYP1A2
Hydrochloric Acid SCHEMBL6768789 0.77 USP2 (0.43) BRAFKDM4EMAPK1HTTCYP1A2
SCHEMBL30513 0.77 EGFR (1.00) EGFRBRAFERBB2KDM4EMAPK1
SCHEMBL29690398 0.77 EGFR (1.00) EGFRBRAFERBB2KDM4EMAPK1
SCHEMBL4586679 0.76 EGFR (0.70) EGFRERBB2CYP1A2CYP2D6CYP2C19
SCHEMBL4594831 0.76 EGFR (0.70) EGFRBRAFERBB2CYP1A2CYP2D6
SCHEMBL2994916 0.73 EGFR (0.38) EGFRBRAFTNNI3KERBB2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777032-B2 N-4-[3-Chloro-4-(3-fluoro-benzyloxy)-phenyl]-N6-(3-ethyl-oxazolidin-2-ylidene)-quinazoline-4,6-diamine; use as type I receptor tyrosine kinase inhibitor; hyperproliferation diseases such as cancer; antiinflammatory agents ARRAY BIOPHARMA INC. (US) 2010-08-17 US disclosed
US-20090270621-A1 QUINAZOLINE ANALOGS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2009-10-29 US disclosed
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 (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-20080194558-A1 Quinazoline analogs as receptor Tyrosine Kinase inhibitors ABL1, ERBB2, FLT3 EGFR 8/4885BRAF 40/4885TNNI3K 233/4885
US-20050101616-A1 Quinazoline analogs as receptor tyrosine kinase inhibitors ABL1, ERBB2, FLT3 EGFR 8/4885BRAF 40/4885TNNI3K 233/4885
US-20090270621-A1 QUINAZOLINE ANALOGS AS RECEPTOR TYROSINE KINASE INHIBITORS ABL1, ERBB2, FLT3 EGFR 8/4885BRAF 40/4885TNNI3K 233/4885

“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.