SCHEMBL18382196

SCHEMBL18382196

N#CCc1ccc(Nc2ccnc3ccc(-c4cccc([N+](=O)[O-])c4)cc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 6/20 0.73
▸ PIK3CA P42336 5/20 0.73
▸ MAPKAPK2 P49137 9/20 0.62
▸ PIK3CD O00329 1/20 0.50
▸ PIK3CB P42338 1/20 0.50
▸ USP2 O75604 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CCNC P24863 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ RAF1 P04049 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ PLK1 P53350 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL17047441 0.85 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBMAPT
SCHEMBL18382162 0.85 MAPKAPK2 (0.73) PIK3CGPIK3CAMAPKAPK2PIK3CDPIK3CB
SCHEMBL18382154 0.85 MAPKAPK2 (0.73) PIK3CGPIK3CAMAPKAPK2PIK3CDPIK3CB
SCHEMBL18382157 0.83 PIK3CG (0.71) PIK3CGPIK3CAMAPKAPK2PIK3CDPIK3CB
SCHEMBL18382155 0.80 PIK3CG (0.71) PIK3CGPIK3CAMAPKAPK2PIK3CDPIK3CB
SCHEMBL18382149 0.80 MAPKAPK2 (0.55) PIK3CGPIK3CAMAPKAPK2PIK3CDPIK3CB
SCHEMBL18382169 0.80 MAPKAPK2 (0.59) PIK3CGPIK3CAMAPKAPK2PIK3CDPIK3CB
SCHEMBL18382202 0.79 MAPKAPK2 (0.73) PIK3CGPIK3CAMAPKAPK2PIK3CDPIK3CB
SCHEMBL18382172 0.78 MAPKAPK2 (0.62) PIK3CGPIK3CAMAPKAPK2PIK3CDPIK3CB
SCHEMBL18382195 0.77 PIK3CG (0.72) PIK3CGPIK3CAMAPKAPK2PIK3CDPIK3CB

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 1/4885MAPKAPK2 55/4885

“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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