SCHEMBL16701549

SCHEMBL16701549

COc1cc(F)cc(-c2nn(CCNc3ccccc3)c3ncnc(N)c23)c1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.75
BTK Q06187 4/20 0.58
FGFR1 P11362 9/20 0.55
FGFR2 P21802 9/20 0.55
FGFR3 P22607 9/20 0.55
SRC P12931 2/20 0.51
FYN P06241 1/20 0.49
FGFR4 P22455 6/20 0.49
PIK3CA P42336 2/20 0.48
PIK3CB P42338 2/20 0.48
PIK3CG P48736 2/20 0.48
PRKDC P78527 2/20 0.48
EGFR P00533 1/20 0.47
LCK P06239 1/20 0.47
JAK3 P52333 1/20 0.47
ITK Q08881 1/20 0.47

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
SCHEMBL16701638 0.88 PIK3CD (0.59) PIK3CDBTKFGFR1FGFR2FGFR3
SCHEMBL16701439 0.86 PIK3CD (1.00) PIK3CDBTKSRCPIK3CAPIK3CB
SCHEMBL130486 0.81 PIK3CD (0.63) PIK3CDBTKFGFR1FGFR2FGFR3
SCHEMBL16701972 0.78 FGFR1 (0.62) PIK3CDBTKFGFR1FGFR2FGFR3
SCHEMBL16701878 0.78 FGFR1 (0.54) PIK3CDBTKFGFR1FGFR2FGFR3
SCHEMBL16712875 0.78 PIK3CD (0.72) PIK3CDBTKSRCPIK3CAPIK3CB
SCHEMBL16702423 0.78 FGFR1 (0.55) PIK3CDBTKFGFR1FGFR2FGFR3
SCHEMBL16701791 0.77 FGFR1 (0.60) PIK3CDBTKFGFR1FGFR2FGFR3
SCHEMBL16701794 0.77 PIK3CD (0.61) PIK3CDBTKFGFR1FGFR2FGFR3
SCHEMBL24156822 0.76 PIK3CD (0.52) PIK3CDBTKFGFR1FGFR2FGFR3

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 2/4885BTK 1/4885FGFR1 2569/4885

“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.