SCHEMBL20711031

SCHEMBL20711031

N#CCc1ccc(Nc2ncc3cc(Br)ccc3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.44
▸ KDR P35968 1/20 0.44
▸ PIK3CG P48736 10/20 0.43
▸ PIK3CA P42336 9/20 0.43
▸ BRAF P15056 6/20 0.42
▸ PIK3CD O00329 3/20 0.41
▸ PIK3CB P42338 2/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ TGFBR1 P36897 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ STK4 Q13043 1/20 0.41
▸ STK3 Q13188 1/20 0.41
▸ BMPR2 Q13873 1/20 0.41
▸ STK26 Q9P289 1/20 0.41
▸ STK24 Q9Y6E0 1/20 0.41
▸ CDK2 P24941 2/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CCNA1 P78396 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
SCHEMBL17529301 0.84 BRAF (0.49) CDK1KDRBRAF
SCHEMBL17047522 0.82 PIK3CG (0.59) CDK1KDRPIK3CGPIK3CABRAF
SCHEMBL7153086 0.82 ROCK1 (0.47) CDK1KDRPIK3CGPIK3CAPIK3CD
SCHEMBL17047483 0.81 PIK3CG (0.50) KDRPIK3CGPIK3CABRAFPIK3CD
SCHEMBL17047495 0.81 BRAF (0.63) PIK3CGPIK3CABRAF
SCHEMBL12120858 0.80 BRAF (0.53) CDK1KDRBRAF
SCHEMBL17047502 0.78 PIK3CA (0.47) PIK3CGPIK3CABRAFPIK3CDPIK3CB
SCHEMBL5495505 0.78 ADRB2 (0.58) CDK1KDRBRAFGSK3AGSK3B
SCHEMBL17047457 0.78 PIK3CA (0.66) CDK1KDRPIK3CGPIK3CABRAF
SCHEMBL17047547 0.78 BRAF (0.57) PIK3CGPIK3CABRAF

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 1 patent. 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 claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 100/4885KDR 1495/4885PIK3CG 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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