SCHEMBL17047530

SCHEMBL17047530

N#CCc1ccc(Nc2ncc3ccccc3n2)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ MAP3K5 Q99683 1/20 0.38
▸ PTK2 Q05397 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ IGF1R P08069 1/20 0.34
▸ PTPRC P08575 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ FDPS P14324 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ PCSK9 Q8NBP7 1/20 0.33
▸ ACVR1 Q04771 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
SCHEMBL17047556 0.84 KDR (0.38) CDK1MAP3K5PTK2MAPTMEN1
SCHEMBL17047465 0.82 MAP3K5 (0.38) CDK2MAP3K5PTK2MAPTMEN1
SCHEMBL7153086 0.80 ROCK1 (0.47) CDK1CDK2MAP3K5MAPTMEN1
SCHEMBL17047434 0.79 MAP3K5 (0.36) MAP3K5PTK2MAPTMEN1KMT2A
SCHEMBL17047468 0.79 PIK3CA (0.43) CDK1MAP3K5PTK2LRRK2PIK3CA
SCHEMBL17047471 0.79 KDM4E (0.39) CDK2MAP3K5PIK3CAPIK3CGPIK3CD
SCHEMBL17047489 0.78 PIK3CG (0.42) CDK1MAP3K5PTK2MAPTMEN1
SCHEMBL17047552 0.76 PIK3CA (0.44) CDK2MAP3K5MAPTBRAFPIK3CA
SCHEMBL17047546 0.76 ACP1 (0.39) MAP3K5MAPTKMT2ABRAFPIK3CA
SCHEMBL17047442 0.75 CYP1A2 (0.50) CDK2MAPTMEN1KMT2APIK3CA

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 CDK1 100/4885CDK2 123/4885MAP3K5 33/4885
US-20170015662-A1 6-ARYL-4-PHENYLAMINO-QUINAZOLINE ANALOGS AS PHOSPHOINOSITIDE-3-KINASE INHIBITORS PIK3CA, PI4KA, PDPK1 CDK1 105/4885CDK2 123/4885MAP3K5 33/4885

“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