SCHEMBL16701518

SCHEMBL16701518

CN(CCn1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21)c1ccccc1F

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.65
PIK3CG P48736 9/20 0.59
PIK3C2B O00750 9/20 0.59
ABL1 P00519 1/20 0.53
EGFR P00533 1/20 0.53
HCK P08631 1/20 0.53
SRC P12931 1/20 0.53
KDR P35968 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
MTOR P42345 1/20 0.53
EPHB4 P54760 1/20 0.53
PRKDC P78527 1/20 0.53
PI4KB Q9UBF8 1/20 0.53

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
SCHEMBL24338963 0.92 PIK3CD (0.64) PIK3CDPIK3CGPIK3C2BABL1EGFR
SCHEMBL16701497 0.84 PIK3CD (0.60) PIK3CDPIK3CGPIK3C2BABL1EGFR
SCHEMBL16701527 0.79 PIK3CD (0.62) PIK3CDPIK3CGPIK3C2BABL1EGFR
SCHEMBL16701439 0.79 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2BABL1EGFR
SCHEMBL16701520 0.79 PIK3CD (0.73) PIK3CDPIK3CGPIK3C2B
SCHEMBL16702636 0.78 PIK3CD (0.55) PIK3CDPIK3CGPIK3C2B
SCHEMBL16701877 0.78 PIK3CD (0.61) PIK3CDPIK3CGPIK3C2B
SCHEMBL16701651 0.78 PIK3CD (0.60) PIK3CDPIK3CGPIK3C2BEGFR
SCHEMBL16702077 0.78 PIK3CD (0.63) PIK3CDPIK3CGPIK3C2BEGFR
SCHEMBL23287715 0.77 PIK3C2B (0.55) PIK3CDPIK3CGPIK3C2BABL1EGFR

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 2/4885PIK3CG 8/4885PIK3C2B 5/4885

“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.