SCHEMBL18382198

SCHEMBL18382198

Cc1ccc(-c2ccc(-c3ccc4ncnc(Nc5ccc(CC#N)cc5)c4c3)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 11/20 0.81
▸ PIK3CA P42336 10/20 0.81
▸ PIK3CD O00329 3/20 0.72
▸ PIK3CB P42338 2/20 0.72
▸ CD38 P28907 1/20 0.56
▸ MAPK1 P28482 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ BRAF P15056 2/20 0.52
▸ RAF1 P04049 1/20 0.51
▸ NCOA1 Q15788 1/20 0.51
▸ NCOA3 Q9Y6Q9 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MAPKAPK2 P49137 1/20 0.49
▸ USP2 O75604 1/20 0.47

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
SCHEMBL17047554 0.90 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBMAPK1
SCHEMBL17047521 0.90 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBMAPK1
SCHEMBL17047493 0.89 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBCD38
SCHEMBL17055871 0.87 PIK3CG (0.75) PIK3CGPIK3CAPIK3CDPIK3CBHTT
SCHEMBL17047550 0.86 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBCD38
SCHEMBL17047488 0.86 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBMAPK1
SCHEMBL17047463 0.86 PIK3CG (0.77) PIK3CGPIK3CAPIK3CDPIK3CBMAPK1
SCHEMBL17047482 0.84 PIK3CG (0.82) PIK3CGPIK3CAPIK3CDPIK3CBMAPK1
SCHEMBL17047466 0.84 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBBRAF
SCHEMBL17047570 0.82 PIK3CG (0.84) PIK3CGPIK3CAPIK3CDPIK3CBMAPK1

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-20170015662-A1 6-ARYL-4-PHENYLAMINO-QUINAZOLINE ANALOGS AS PHOSPHOINOSITIDE-3-KINASE INHIBITORS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-01-19 — — US 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 (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-20170015662-A1 6-ARYL-4-PHENYLAMINO-QUINAZOLINE ANALOGS AS PHOSPHOINOSITIDE-3-KINASE INHIBITORS PIK3CA, PI4KA, PDPK1 PIK3CG 5/4885PIK3CA 1/4885PIK3CD 4/4885

“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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