SCHEMBL6163415

SCHEMBL6163415

CSc1nncn1-c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(C#N)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
DEGS1 O15121 1/20 0.39
NAMPT P43490 4/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
MAPK14 Q16539 1/20 0.37
GRIN2B Q13224 1/20 0.36
CTSZ Q9UBR2 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
SCN3A Q9NY46 1/20 0.36
CYP1A2 P05177 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
LPAR2 Q9HBW0 1/20 0.35

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
SCHEMBL7100217 0.87 NAMPT (0.43) HRH3DEGS1NAMPTALDH1A1CYP3A4
SCHEMBL6163423 0.74 CTSZ (0.38) ALDH1A1CTSZ
SCHEMBL6166089 0.71 F10 (0.45) HRH3DEGS1NAMPTALDH1A1CYP3A4
SCHEMBL6167083 0.71 DEGS1 (0.48) HRH3DEGS1NAMPTALDH1A1LMNA
SCHEMBL6169837 0.71 NAMPT (0.43) DEGS1NAMPTALDH1A1CYP3A4CYP2C9
SCHEMBL6169840 0.70 NAMPT (0.42) DEGS1NAMPTALDH1A1CYP3A4CYP2C9
SCHEMBL22752008 0.69 ROCK2 (0.58) NAMPTALDH1A1LMNAGAAHTT
SCHEMBL6166874 0.67 F10 (0.52)
SCHEMBL6165552 0.67 F10 (0.52)
SCHEMBL6163283 0.67 SCN3A (0.44) DEGS1NAMPTALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI HRH3 1037/4885DEGS1 2512/4885NAMPT 348/4885

“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.