SCHEMBL17203726

SCHEMBL17203726

Cc1ccccc1-c1cnc(N)c(-c2cn(C)nc2C)n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.54
▸ PIK3CG P48736 3/20 0.54
▸ FGFR1 P11362 2/20 0.44
▸ FGFR2 P21802 2/20 0.44
▸ FGFR3 P22607 2/20 0.44
▸ ATR Q13535 10/20 0.44
▸ PRKDC P78527 1/20 0.44
▸ MAPK1 P28482 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TLR8 Q9NR97 1/20 0.38
▸ PIK3CD O00329 1/20 0.37

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
SCHEMBL22553193 0.80 ATR (0.44) PIK3CAPIK3CGFGFR1FGFR2FGFR3
SCHEMBL17204080 0.79 PIK3CG (0.68) PIK3CAPIK3CGMAPK1PIK3CD
SCHEMBL17203970 0.76 ALDH1A1 (0.45) PIK3CAPIK3CGATRMAPK1ALDH1A1
SCHEMBL22553171 0.75 PIK3CG (0.54) PIK3CAPIK3CGMAPK1PIK3CD
SCHEMBL17203914 0.75 ALDH1A1 (0.44) PIK3CAPIK3CGFGFR1FGFR2FGFR3
SCHEMBL28174453 0.74 ATR (0.56) ATRPRKDCALDH1A1TLR8
SCHEMBL21266719 0.72 ALDH1A1 (0.51) PIK3CAPIK3CGFGFR1FGFR2FGFR3
SCHEMBL17204254 0.71 PIK3CG (0.54) PIK3CAPIK3CGATRPRKDCPIK3CD
SCHEMBL17204032 0.70 ATR (0.52) ATRPRKDCALDH1A1TLR8
SCHEMBL17203644 0.70 ATR (0.44) ATRPRKDCMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458979-B Aminopyrazine derivatives as phosphatidylinositol 3-kinase inhibitors 诺华股份有限公司 2020-03-27 — — CN disclosed
US-20180243297-A1 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-08-30 — — US disclosed
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-06-26 — — US disclosed
EP-3134397-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Novartis AG (CH) 2017-03-01 — — EP disclosed
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-16 — — US disclosed
WO-2015162459-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2015-10-29 — — 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 (3 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-20180243297-A1 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP5K1B, PIP4K2B PIK3CA 27/4885PIK3CG 18/4885FGFR1 2806/4885
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP5K1B, PIP4K2B PIK3CA 27/4885PIK3CG 18/4885FGFR1 2806/4885
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP5K1B, PIP4K2B PIK3CA 27/4885PIK3CG 18/4885FGFR1 2806/4885

“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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