SCHEMBL16702031

SCHEMBL16702031

NCCn1nc(-c2cc(O)c(F)c(F)c2)c2c(N)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 18/20 0.58
▸ PIK3CA P42336 15/20 0.58
▸ PIK3CG P48736 15/20 0.58
▸ ABL1 P00519 14/20 0.58
▸ EGFR P00533 14/20 0.58
▸ HCK P08631 14/20 0.58
▸ SRC P12931 14/20 0.58
▸ KDR P35968 14/20 0.58
▸ PIK3CB P42338 14/20 0.58
▸ MTOR P42345 14/20 0.58
▸ EPHB4 P54760 14/20 0.58
▸ PRKDC P78527 14/20 0.58
▸ BTK Q06187 1/20 0.58
▸ PI4KB Q9UBF8 10/20 0.51
▸ FGFR1 P11362 1/20 0.49
▸ FGFR2 P21802 1/20 0.49
▸ FGFR4 P22455 1/20 0.49
▸ FGFR3 P22607 1/20 0.49

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
SCHEMBL16701525 0.85 PIK3CD (0.58) PIK3CDPIK3CAPIK3CGABL1EGFR
SCHEMBL23917454 0.84 PIK3CD (0.65) PIK3CDPIK3CAPIK3CGABL1EGFR
SCHEMBL16702035 0.79 PIK3CD (0.51) PIK3CDPIK3CAPIK3CGABL1EGFR
SCHEMBL14086589 0.76 PIK3CD (0.76) PIK3CDPIK3CAPIK3CGABL1EGFR
SCHEMBL16701488 0.75 PIK3CD (0.86) PIK3CDPIK3CAPIK3CGABL1EGFR
SCHEMBL24096755 0.74 PIK3CD (0.62) PIK3CDPIK3CAPIK3CGABL1EGFR
SCHEMBL18874474 0.74 PIK3CD (0.72) PIK3CDPIK3CAPIK3CGABL1EGFR
SCHEMBL29999077 0.74 PIK3CD (0.62) PIK3CDPIK3CAPIK3CGABL1EGFR
SCHEMBL16655677 0.73 PIK3CD (1.00) PIK3CDPIK3CAPIK3CGABL1EGFR
SCHEMBL23917458 0.73 PIK3CD (0.62) PIK3CDPIK3CAPIK3CGABL1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160272645-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-22 — — US disclosed
WO-2015069441-A1 PYRAZOLO-, IMIDAZOLO- AND PYRROLO-PYRIDINE OR -PYRIMIDINE DERIVATIVES AS INHIBITORS O BRUTONS KINASE (BTK) MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-14 — — 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-20160272645-A1 Heterocyclic Compounds and Methods of Use BTK, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CA 6/4885PIK3CG 8/4885

“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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