SCHEMBL17047445

SCHEMBL17047445

CC(=O)Nc1cccc(-c2cc(CC#N)ccc2Nc2ncc3ccccc3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 2/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ STAT1 P42224 1/20 0.45
▸ TTK P33981 1/20 0.42
▸ MAP4K1 Q92918 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ ABCG2 Q9UNQ0 2/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ ABCC1 P33527 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL17047468 0.84 PIK3CA (0.43) MAP3K5TTKPTK2SYKKDR
SCHEMBL17047556 0.84 KDR (0.38) MAP3K5RAB9ATTKPTK2ABCG2
SCHEMBL17047552 0.84 PIK3CA (0.44) MAP3K5SMN1; SMN2NPC1PDE10AJAK3
SCHEMBL17047442 0.80 CYP1A2 (0.50) NPC1RAB9AABCG2KDM4EPOLB
SCHEMBL17047465 0.78 MAP3K5 (0.38) MAP3K5MAP4K1PTK2PDE10AJAK3
SCHEMBL17047546 0.76 ACP1 (0.39) MAP3K5NPC1RAB9AKDM4EPOLB
SCHEMBL17047489 0.76 PIK3CG (0.42) MAP3K5MAP4K1PTK2MEN1KMT2A
SCHEMBL17047434 0.76 MAP3K5 (0.36) MAP3K5SMN1; SMN2PTK2PDE10AGAA
SCHEMBL17047530 0.74 CDK1 (0.39) MAP3K5PTK2PDE10AABCG2ABCB1
SCHEMBL17047471 0.73 KDM4E (0.39) MAP3K5SMN1; SMN2NPC1RAB9APDE10A

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 MAP3K5 33/4885SMN1; SMN2 4095/4885NPC1 2880/4885
US-20170015662-A1 6-ARYL-4-PHENYLAMINO-QUINAZOLINE ANALOGS AS PHOSPHOINOSITIDE-3-KINASE INHIBITORS PIK3CA, PI4KA, PDPK1 MAP3K5 33/4885SMN1; SMN2 4088/4885NPC1 2880/4885

“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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