SCHEMBL17047471

SCHEMBL17047471

N#CCc1ccc(Nc2ncc3ccccc3n2)c(-c2ccc(F)cc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GRM2 Q14416 1/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.33
▸ ZAP70 P43403 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ CDK9 P50750 3/20 0.33
▸ PIK3CD O00329 1/20 0.33

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
SCHEMBL17047465 0.83 MAP3K5 (0.38) MAP3K5CDK2PIK3CDPIK3CAPIK3CG
SCHEMBL17047556 0.83 KDR (0.38) ALDH1A1RAB9AMAP3K5PIK3CDPIK3CA
SCHEMBL17047434 0.81 MAP3K5 (0.36) ALDH1A1GAASMN1; SMN2MAP3K5PIK3CD
SCHEMBL17047530 0.79 CDK1 (0.39) ALDH1A1MAP3K5CDK2PIK3CDPIK3CA
SCHEMBL17047468 0.78 PIK3CA (0.43) ADORA1MAP3K5PIK3CDPIK3CAPIK3CG
SCHEMBL17047489 0.77 PIK3CG (0.42) MAP3K5PIK3CDPIK3CAPIK3CGPAK1
SCHEMBL17047546 0.76 ACP1 (0.39) KDM4ENPC1RAB9AMAP3K5PIK3CD
SCHEMBL17047552 0.76 PIK3CA (0.44) NPC1SMN1; SMN2MAP3K5CDK2PIK3CD
SCHEMBL17047442 0.74 CYP1A2 (0.50) KDM4ENPC1ALDH1A1GAARAB9A
SCHEMBL7153086 0.73 ROCK1 (0.47) MAP3K5CDK2PIK3CDPIK3CAPIK3CG

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 KDM4E 1055/4885NPC1 2880/4885ALDH1A1 1640/4885
US-20170015662-A1 6-ARYL-4-PHENYLAMINO-QUINAZOLINE ANALOGS AS PHOSPHOINOSITIDE-3-KINASE INHIBITORS PIK3CA, PI4KA, PDPK1 KDM4E 1037/4885NPC1 2880/4885ALDH1A1 1681/4885

“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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