SCHEMBL1442897

SCHEMBL1442897

O=S(=O)(Nc1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.54
▸ PIK3CA P42336 1/20 0.54
▸ PIK3CB P42338 1/20 0.54
▸ MTOR P42345 1/20 0.54
▸ PIK3CG P48736 1/20 0.54
▸ PRKDC P78527 1/20 0.54
▸ PIK3C3 Q8NEB9 1/20 0.54
▸ TP53 P04637 6/20 0.51
▸ THRB P10828 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ PTPN2 P17706 3/20 0.47
▸ PTPN1 P18031 3/20 0.47
▸ PTPN5 P54829 3/20 0.47
▸ HSPD1 P10809 2/20 0.47
▸ HSPE1 P61604 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL1442552 0.84 CNR2 (0.57) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL1442189 0.82 CYP1A2 (0.63) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL13276404 0.81 PIK3CA (0.61) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL1442067 0.80 PIK3CA (0.55) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3072279 0.80 PIK3CA (0.61) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL1443009 0.79 IDH2 (0.52) PIK3CAMTORPIK3CG
SCHEMBL12812449 0.79 BRAF (0.61) GAA
SCHEMBL1443411 0.77 DGAT1 (0.56) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL1443171 0.77 MTOR (0.53) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL12812031 0.77 LRRK2 (0.55) PIK3CDPIK3CAPIK3CBMTORPIK3CG

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US claimed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US claimed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 — — EP disclosed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — WO disclosed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — 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 (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-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS ABL1, TYK2, JAK2 PIK3CD 370/4885PIK3CA 181/4885PIK3CB 404/4885

“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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