SCHEMBL17047474

SCHEMBL17047474

N#CCc1ccc(Nc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 11/20 1.00
▸ PIK3CA P42336 10/20 1.00
▸ CYP1A2 P05177 3/20 0.70
▸ CYP3A4 P08684 3/20 0.70
▸ CYP2D6 P10635 3/20 0.70
▸ USP2 O75604 2/20 0.70
▸ CYP2C9 P11712 2/20 0.70
▸ TSHR P16473 2/20 0.70
▸ MAPK1 P28482 2/20 0.70
▸ HSD17B10 Q99714 2/20 0.70
▸ KDM4E B2RXH2 1/20 0.70
▸ MAPT P10636 1/20 0.70
▸ PIK3CD O00329 3/20 0.66
▸ PIK3CB P42338 2/20 0.66
▸ CLK1 P49759 4/20 0.60
▸ CLK4 Q9HAZ1 6/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ RAF1 P04049 1/20 0.56

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
SCHEMBL17047509 0.94 PIK3CG (1.00) PIK3CGPIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL18382153 0.84 PIK3CG (0.72) PIK3CGPIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL17047521 0.83 PIK3CG (1.00) PIK3CGPIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL17047554 0.83 PIK3CG (1.00) PIK3CGPIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL18382198 0.82 PIK3CG (0.81) PIK3CGPIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL17047493 0.82 PIK3CG (1.00) PIK3CGPIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL17047482 0.80 PIK3CG (0.82) PIK3CGPIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL17047488 0.79 PIK3CG (1.00) PIK3CGPIK3CACYP1A2CYP3A4CYP2D6
SCHEMBL17047466 0.79 PIK3CG (1.00) PIK3CGPIK3CAPIK3CDPIK3CBRAF1
SCHEMBL17055871 0.78 PIK3CG (0.75) PIK3CGPIK3CAMAPTPIK3CDPIK3CB

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 1/4885CYP1A2 1813/4885
US-20170015662-A1 6-ARYL-4-PHENYLAMINO-QUINAZOLINE ANALOGS AS PHOSPHOINOSITIDE-3-KINASE INHIBITORS PIK3CA, PI4KA, PDPK1 PIK3CG 5/4885PIK3CA 1/4885CYP1A2 1859/4885

“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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