SCHEMBL5053496

SCHEMBL5053496

NC(=O)C1CN(c2ccncc2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.44
CYP2C9 P11712 3/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 1/20 0.41
CHRM1 P11229 5/20 0.40
TRPV1 Q8NER1 1/20 0.40
ADRB2 P07550 1/20 0.40
NCF1 P14598 1/20 0.40
PLD1 Q13393 1/20 0.40
NAMPT P43490 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
NOTUM Q6P988 1/20 0.39
RORC P51449 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL29514498 0.83 NOTUM (0.51) CHKACYP2C9CYP3A4TSHRCHRM1
SCHEMBL2780304 0.82 CYP3A4 (0.54) CHKACYP2C9CYP3A4TSHRADRB2
SCHEMBL2297674 0.81 NOTUM (0.58) CYP2C9CYP3A4TSHRCYP2C19NOTUM
SCHEMBL15531010 0.81 NOTUM (0.36) CYP3A4NAMPTHSD17B10NOTUMRORC
SCHEMBL15530708 0.80 CHRNB2 (0.54)
SCHEMBL30282995 0.80 CHRNB2 (0.54)
SCHEMBL3440342 0.77 TSHR (0.42) CHKACYP2C9CYP3A4TSHRCHRM1
SCHEMBL29514669 0.77 NAMPT (0.57) CHKACYP2C9CYP3A4TSHRNAMPT
SCHEMBL29851199 0.76 GPBAR1 (0.44) CHRM1
SCHEMBL4721762 0.76 LSS (0.54) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569927-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP claimed
US-20040171604-A1 Imidazole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-02 US claimed
WO-2004050636-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-17 WO claimed
US-7358268-B2 Imidazole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-15 US disclosed
EP-1569927-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP disclosed
US-20040171604-A1 Imidazole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-02 US disclosed
WO-2004050636-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-17 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-20040171604-A1 Imidazole derivatives as factor Xa inhibitors TFPI, F11, TFPI2 CHKA 1918/4885CYP2C9 80/4885CYP3A4 234/4885

“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.