SCHEMBL17825813

SCHEMBL17825813

Cc1nc2cc(C(C#N)c3cccc(F)c3)cnc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
F9 P00740 4/20 0.34
F10 P00742 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
VDR P11473 1/20 0.33
GAA P10253 4/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE2A O00408 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK1 P28482 2/20 0.31
TYMS P04818 1/20 0.31
PARP1 P09874 1/20 0.31
RPS6KB1 P23443 1/20 0.31

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
SCHEMBL17825867 0.82 TAAR1 (0.39) TAAR1F9F10CYP2C8CYP2D6
SCHEMBL21915340 0.79 F9 (0.39) F9F10CYP2C8CYP2D6CYP2C9
SCHEMBL17835161 0.79 F9 (0.39) F9F10CYP2C8CYP2D6CYP2C9
SCHEMBL21889466 0.70 ALDH1A1 (0.55) TAAR1KCNH2GAAALDH1A1L3MBTL1
SCHEMBL19347320 0.69 ABL1 (0.36) KCNH2GAAALDH1A1PDE2AHPGD
SCHEMBL21597045 0.69 CDK5 (0.37) GAAALDH1A1HPGDTYMSPARP1
SCHEMBL27502430 0.68 LMNA (0.57) ALDH1A1HPGD
SCHEMBL21574585 0.67 KCNA5 (0.45) TAAR1KCNH2GAAALDH1A1HPGD
SCHEMBL19813239 0.67 DGAT1 (0.32) TAAR1
SCHEMBL29031389 0.65 KCNA5 (0.40) TAAR1GAAALDH1A1L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
EP-3229801-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-18 EP disclosed
WO-2016094260-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-16 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 (2 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-20180030036-A1 Factor IXa Inhibitors F9, TFPI, F12 TAAR1 4681/4885F9 1/4885F10 5/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 TAAR1 4681/4885F9 1/4885F10 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.