SCHEMBL6177595

SCHEMBL6177595

Nc1ccc(-n2ccnc2S)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP19A1 P11511 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GFER P55789 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
FGFR1 P11362 2/20 0.34
ADH5 P11766 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6609392 0.80 MAPKAPK2 (0.43) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6608437 0.80 NOTUM (0.41) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL23196722 0.80 CYP3A4 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10594306 0.80 ENPP2 (0.41) MKNK1MKNK2LMNACYP1A2CYP3A4
SCHEMBL353826 0.79 CYP3A4 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9802365 0.79 MAPK9 (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5387033 0.79 MKNK1 (0.46) MKNK1MKNK2MAPTLMNACYP1A2
SCHEMBL27577364 0.78 CYP3A4 (0.42) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10641492 0.78 MAPT (0.47) MAPTCYP3A4ALDH1A1CYP11B1CYP11B2
SCHEMBL2269279 0.78 CYP3A4 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 MKNK1 4046/4885MKNK2 4181/4885MAPT 4356/4885

“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.