SCHEMBL17047464

SCHEMBL17047464

N#CCc1ccc(Nc2ncc3cc(-c4cncc5ccccc45)ccc3n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.69
▸ PIK3CG P48736 5/20 0.69
▸ PIK3CD O00329 2/20 0.69
▸ BRAF P15056 11/20 0.43
▸ CYP11B1 P15538 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ TNF P01375 1/20 0.42
▸ ROCK1 Q13464 1/20 0.41
▸ PIK3CB P42338 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL17047483 0.84 PIK3CG (0.50) PIK3CAPIK3CGPIK3CDBRAFPIK3CB
SCHEMBL17047522 0.83 PIK3CG (0.59) PIK3CAPIK3CGPIK3CDBRAFPIK3CB
SCHEMBL17047502 0.82 PIK3CA (0.47) PIK3CAPIK3CGPIK3CDBRAFROCK1
SCHEMBL17047462 0.82 PIK3CG (1.00) PIK3CAPIK3CGPIK3CDBRAFPIK3CB
SCHEMBL17047571 0.80 PIK3CG (0.52) PIK3CAPIK3CGPIK3CDBRAFPIK3CB
SCHEMBL17047495 0.80 BRAF (0.63) PIK3CAPIK3CGBRAF
SCHEMBL7153086 0.79 ROCK1 (0.47) PIK3CAPIK3CGPIK3CDTNFROCK1
SCHEMBL17047461 0.78 PIK3CA (0.43) PIK3CAPIK3CGPIK3CDBRAFPIK3CB
SCHEMBL17047475 0.78 IKBKB (0.44) PIK3CAPIK3CGPIK3CDBRAFPIK3CB
SCHEMBL20711031 0.75 CDK1 (0.44) PIK3CAPIK3CGPIK3CDBRAFPIK3CB

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 5/4885PIK3CD 4/4885
US-20170015662-A1 6-ARYL-4-PHENYLAMINO-QUINAZOLINE ANALOGS AS PHOSPHOINOSITIDE-3-KINASE INHIBITORS PIK3CA, PI4KA, PDPK1 PIK3CA 1/4885PIK3CG 5/4885PIK3CD 4/4885

“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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