SCHEMBL17047546

SCHEMBL17047546

CCOc1ccc(-c2ccc(-c3cc(CC#N)ccc3Nc3ncc4ccccc4n3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ KDR P35968 1/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ PAK1 Q13153 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 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) ACP1MAPTPDE4APDE4BPDE4C
SCHEMBL17047552 0.83 PIK3CA (0.44) ACP1NPC1MAPTBRAFKDR
SCHEMBL17047489 0.83 PIK3CG (0.42) ACP1MAPTKDRKMT2APIK3CD
SCHEMBL17047465 0.81 MAP3K5 (0.38) ACP1MAPTKDRKMT2APIK3CD
SCHEMBL17047468 0.80 PIK3CA (0.43) ACP1KDRPIK3CDPIK3CAPIK3CG
SCHEMBL17047547 0.77 BRAF (0.57) BRAFPIK3CAPIK3CG
SCHEMBL17047434 0.77 MAP3K5 (0.36) ACP1MAPTBRAFKMT2APIK3CD
SCHEMBL17047445 0.76 MAP3K5 (0.58) NPC1KDM4EBRAFKDRRAB9A
SCHEMBL17047530 0.76 CDK1 (0.39) ACP1MAPTBRAFKMT2APIK3CD
SCHEMBL17047442 0.76 CYP1A2 (0.50) NPC1MAPTKDM4EPDE4APDE4B

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 ACP1 741/4885NPC1 2880/4885MAPT 3438/4885
US-20170015662-A1 6-ARYL-4-PHENYLAMINO-QUINAZOLINE ANALOGS AS PHOSPHOINOSITIDE-3-KINASE INHIBITORS PIK3CA, PI4KA, PDPK1 ACP1 736/4885NPC1 2880/4885MAPT 3349/4885

“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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