SCHEMBL17356153

SCHEMBL17356153

CC(C)c1ccn(-c2ccnc(C(F)(F)F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
GRIN1 Q05586 3/20 0.40
GRIN2B Q13224 3/20 0.40
RXRA P19793 2/20 0.40
IDH1 O75874 4/20 0.40
CASR P41180 5/20 0.39
LOXL2 Q9Y4K0 2/20 0.36
ACACB O00763 1/20 0.36
LOX P28300 1/20 0.36
KDM5B Q9UGL1 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CRHBP P24387 1/20 0.35
CYP2C19 P33261 1/20 0.35
CRHR2 Q13324 1/20 0.35
IDO1 P14902 1/20 0.35
SCN9A Q15858 1/20 0.34

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
SCHEMBL15832232 0.81 AR (0.46) ARGRIN1GRIN2BRXRAIDH1
SCHEMBL23368131 0.81 ELOVL1 (0.40) GRIN1GRIN2BRXRACASRLOXL2
SCHEMBL17356151 0.79 ELOVL1 (0.39) GRIN1GRIN2BRXRACASR
SCHEMBL17356160 0.79 CASR (0.38) IDH1CASRCYP3A4CYP2D6TSHR
SCHEMBL15825104 0.78 AR (0.43) ARGRIN1GRIN2BRXRAIDH1
SCHEMBL21887849 0.78 ELOVL1 (0.38) CASR
SCHEMBL21805818 0.78 CASR (0.34) GRIN1GRIN2BRXRAIDH1CASR
SCHEMBL20242016 0.78 AR (0.43) ARGRIN1GRIN2BRXRAIDH1
SCHEMBL19068634 0.77 AR (0.43) ARGRIN1GRIN2BRXRALOXL2
SCHEMBL17356165 0.74 CASR (0.41) ARGRIN1GRIN2BRXRACASR

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-9695198-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-04 US disclosed
US-20150368269-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-24 US 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-20150368269-A1 Factor IXa Inhibitors F9, TFPI, F13B AR 3120/4885GRIN1 4819/4885GRIN2B 4492/4885

“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.