SCHEMBL17825867

SCHEMBL17825867

Cc1nc2cc(C(C#N)c3cccc(F)c3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
F9 P00740 3/20 0.36
F10 P00742 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GUSB P08236 1/20 0.34
POLB P06746 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33

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
Hydrochloric Acid SCHEMBL9664270 0.82 F9 (0.39) F9F10CYP2C8CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL8634921 0.82 BRD4 (0.40) F9F10CYP2C8CYP2D6CYP2C9
SCHEMBL17825813 0.82 TAAR1 (0.37) TAAR1F9F10CYP2C8CYP2D6
SCHEMBL19813386 0.80 F9 (0.41) F9F10CYP2C8CYP2D6CYP2C9
SCHEMBL21889466 0.75 ALDH1A1 (0.55) TAAR1KCNH2ALDH1A1SMN1; SMN2LMNA
SCHEMBL9664150 0.75 CYP19A1 (0.51) CYP2C8CYP2D6CYP2C9KCNH2ALDH1A1
SCHEMBL27502430 0.73 LMNA (0.57) ALDH1A1SMN1; SMN2LMNAHPGDUSP2
SCHEMBL2008567 0.73 TYMS (0.49) ALDH1A1SMN1; SMN2HPGDGAAPOLB
SCHEMBL30798863 0.73 TNKS2 (0.48) TAAR1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL6888843 0.70 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAHPGDGAA

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.