SCHEMBL17047441

SCHEMBL17047441

N#CCc1ccc(Nc2ncnc3ccc(-c4cccc([N+](=O)[O-])c4)cc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 11/20 1.00
▸ PIK3CA P42336 10/20 1.00
▸ PIK3CD O00329 3/20 0.71
▸ PIK3CB P42338 2/20 0.71
▸ EGFR P00533 3/20 0.56
▸ RAF1 P04049 2/20 0.55
▸ BRAF P15056 2/20 0.55
▸ ALK Q9UM73 1/20 0.54
▸ ABCG2 Q9UNQ0 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL18382196 0.85 PIK3CG (0.73) PIK3CGPIK3CAPIK3CDPIK3CBRAF1
SCHEMBL17047521 0.85 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBRAF1
SCHEMBL17047554 0.85 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBRAF1
SCHEMBL17047466 0.83 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBRAF1
SCHEMBL17047443 0.80 PIK3CG (0.73) PIK3CGPIK3CAPIK3CDPIK3CBEGFR
SCHEMBL17047482 0.80 PIK3CG (0.82) PIK3CGPIK3CAPIK3CDPIK3CBRAF1
SCHEMBL17047493 0.79 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBRAF1
SCHEMBL18382198 0.79 PIK3CG (0.81) PIK3CGPIK3CAPIK3CDPIK3CBRAF1
SCHEMBL17047570 0.78 PIK3CG (0.84) PIK3CGPIK3CAPIK3CDPIK3CBRAF1
SCHEMBL17047550 0.77 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBEGFR

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 10 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
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
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
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
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
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 PIK3CG 5/4885PIK3CA 1/4885PIK3CD 4/4885
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.

Send feedback