SCHEMBL17047552

SCHEMBL17047552

CC(=O)c1ccc(-c2cc(CC#N)ccc2Nc2ncc3ccccc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.44
▸ PIK3CG P48736 2/20 0.44
▸ MAP3K5 Q99683 1/20 0.42
▸ BRAF P15056 3/20 0.37
▸ PDE10A Q9Y233 2/20 0.36
▸ SGK1 O00141 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ GUSB P08236 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TNF P01375 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ CSNK1G2 P78368 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ MAP4K5 Q9Y4K4 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ ACP1 P24666 1/20 0.34
▸ CCNA2 P20248 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
SCHEMBL17047556 0.87 KDR (0.38) PIK3CAPIK3CGMAP3K5PIK3CDMAPT
SCHEMBL17047445 0.84 MAP3K5 (0.58) MAP3K5BRAFPDE10ANPC1SMN1; SMN2
SCHEMBL17047546 0.83 ACP1 (0.39) PIK3CAPIK3CGMAP3K5BRAFPIK3CD
SCHEMBL17047489 0.83 PIK3CG (0.42) PIK3CAPIK3CGMAP3K5PIK3CDMAPT
SCHEMBL17047468 0.82 PIK3CA (0.43) PIK3CAPIK3CGMAP3K5PIK3CDTNF
SCHEMBL17047465 0.81 MAP3K5 (0.38) PIK3CAPIK3CGMAP3K5PDE10APIK3CD
SCHEMBL17047434 0.79 MAP3K5 (0.36) PIK3CAPIK3CGMAP3K5BRAFPDE10A
SCHEMBL17047442 0.78 CYP1A2 (0.50) PIK3CAPIK3CGNPC1MAPTCCNA2
SCHEMBL17047530 0.76 CDK1 (0.39) PIK3CAPIK3CGMAP3K5BRAFPDE10A
SCHEMBL17047471 0.76 KDM4E (0.39) PIK3CAPIK3CGMAP3K5PDE10APIK3CD

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-10202374-B2 6-aryl-4-phenylamino-quinazoline analogs as phosphoinositide-3-kinase inhibitors COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-02-12 — — US disclosed
EP-3110801-B1 6-ARYL-4-PHENYLAMINO-QUINAZOLINE ANALOGS AS PHOSPHOINOSITIDE-3-KINASE INHIBITORS COUNCIL SCIENT IND RES (IN) 2019-01-30 — — EP disclosed
US-20170015662-A1 6-ARYL-4-PHENYLAMINO-QUINAZOLINE ANALOGS AS PHOSPHOINOSITIDE-3-KINASE INHIBITORS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-01-19 — — US disclosed
EP-3110801-A1 6-ARYL-4-PHENYLAMINO-QUINAZOLINE ANALOGS AS PHOSPHOINOSITIDE-3-KINASE INHIBITORS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-01-04 — — EP disclosed
WO-2015128873-A1 \"6-ARYL-4-PHENYLAMINO-QUINAZOLINE ANALOGS AS PHOSPHOINOSITIDE-3-KINASE INHIBITORS\ COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-09-03 — — WO 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-10202374-B2 6-aryl-4-phenylamino-quinazoline analogs as phosphoinositide-3-kinase inhibitors PIK3CA, PI4KA, PDPK1 PIK3CA 1/4885PIK3CG 5/4885MAP3K5 33/4885
US-20170015662-A1 6-ARYL-4-PHENYLAMINO-QUINAZOLINE ANALOGS AS PHOSPHOINOSITIDE-3-KINASE INHIBITORS PIK3CA, PI4KA, PDPK1 PIK3CA 1/4885PIK3CG 5/4885MAP3K5 33/4885

“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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