SCHEMBL17047442

SCHEMBL17047442

N#CCc1ccc(Nc2ncc3ccccc3n2)c(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.50
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ ABCG2 Q9UNQ0 3/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ PLK1 P53350 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ F7 P08709 1/20 0.37
▸ CFTR P13569 1/20 0.37
▸ BCHE P06276 1/20 0.37

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 0.85 KDR (0.38) PIK3CAPIK3CGRAB9APDE4APDE4B
SCHEMBL17047468 0.84 PIK3CA (0.43) PIK3CAPIK3CG
SCHEMBL17047445 0.80 MAP3K5 (0.58) NPC1RAB9AABCG2ALDH1A1MEN1
SCHEMBL17047552 0.78 PIK3CA (0.44) PIK3CAPIK3CGNPC1MAPTPLK1
SCHEMBL17047465 0.78 MAP3K5 (0.38) PIK3CAPIK3CGABCG2MAPTMEN1
SCHEMBL17047489 0.77 PIK3CG (0.42) PIK3CAPIK3CGMAPTMEN1KMT2A
SCHEMBL17047434 0.77 MAP3K5 (0.36) CYP1A2PIK3CAPIK3CGALDH1A1MAPT
SCHEMBL17047546 0.76 ACP1 (0.39) PIK3CAPIK3CGNPC1RAB9APDE4A
SCHEMBL17047530 0.75 CDK1 (0.39) PIK3CAPIK3CGABCG2ALDH1A1MAPT
SCHEMBL17047471 0.74 KDM4E (0.39) PIK3CAPIK3CGNPC1RAB9AALDH1A1

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 CYP1A2 1813/4885PIK3CA 1/4885PIK3CG 5/4885
US-20170015662-A1 6-ARYL-4-PHENYLAMINO-QUINAZOLINE ANALOGS AS PHOSPHOINOSITIDE-3-KINASE INHIBITORS PIK3CA, PI4KA, PDPK1 CYP1A2 1859/4885PIK3CA 1/4885PIK3CG 5/4885

“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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