SCHEMBL17047434

SCHEMBL17047434

N#CCc1ccc(Nc2ncc3ccccc3n2)c(-c2ccccc2C=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.36
▸ PIK3CA P42336 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ PTK2 Q05397 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ FDPS P14324 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MEN1 O00255 2/20 0.32

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 0.84 MAP3K5 (0.38) MAP3K5PIK3CAPIK3CGPIK3CDPTK2
SCHEMBL17047556 0.84 KDR (0.38) MAP3K5PIK3CAPIK3CGPIK3CDALDH1A1
SCHEMBL17047471 0.81 KDM4E (0.39) MAP3K5PIK3CAPIK3CGPIK3CDALDH1A1
SCHEMBL17047489 0.80 PIK3CG (0.42) MAP3K5PIK3CAPIK3CGPIK3CDPTK2
SCHEMBL17047530 0.79 CDK1 (0.39) MAP3K5PIK3CAPIK3CGPIK3CDALDH1A1
SCHEMBL17047468 0.79 PIK3CA (0.43) MAP3K5PIK3CAPIK3CGPIK3CDPTK2
SCHEMBL17047552 0.79 PIK3CA (0.44) MAP3K5PIK3CAPIK3CGPIK3CDROCK1
SCHEMBL17047442 0.77 CYP1A2 (0.50) PIK3CAPIK3CGALDH1A1GAAHTT
SCHEMBL17047546 0.77 ACP1 (0.39) MAP3K5PIK3CAPIK3CGPIK3CDMAPT
SCHEMBL17047445 0.76 MAP3K5 (0.58) MAP3K5ALDH1A1GAAPTK2SMN1; SMN2

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 33/4885PIK3CA 1/4885PIK3CG 5/4885
US-20170015662-A1 6-ARYL-4-PHENYLAMINO-QUINAZOLINE ANALOGS AS PHOSPHOINOSITIDE-3-KINASE INHIBITORS PIK3CA, PI4KA, PDPK1 MAP3K5 33/4885PIK3CA 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.

Send feedback