SCHEMBL5440797

SCHEMBL5440797

NC(=O)c1ncn(-c2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1N

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.57
RAF1 P04049 1/20 0.56
CDK8 P49336 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
RIPK1 Q13546 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
KIT P10721 1/20 0.50
PDGFRB P09619 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
TEK Q02763 1/20 0.46

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
SCHEMBL5449198 0.89 CDK8 (0.53) KDRRAF1CDK8RIPK1KIT
SCHEMBL5436578 0.83 KDR (0.64) KDRCDK8RIPK1KITPDGFRB
SCHEMBL5440740 0.80 RIPK1 (0.51) KDRCA1CA2CA9RIPK1
SCHEMBL27673022 0.80 KDR (0.41) KDR
SCHEMBL14191797 0.80 KIT (0.58) KDRRAF1CDK8CA1CA2
SCHEMBL5105069 0.80 RIPK1 (0.58) KDRRAF1CDK8CA1CA2
SCHEMBL14191796 0.80 KIT (0.60) KDRRAF1CDK8CA1CA2
Hydrochloric Acid SCHEMBL5105968 0.79 KIT (0.57) KDRRAF1CDK8CA1CA2
Hydrochloric Acid SCHEMBL5120545 0.79 KIT (0.59) KDRRAF1CDK8CA1CA2
SCHEMBL5120556 0.79 RIPK1 (0.59) KDRRAF1CDK8CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225347-A1 Imidazole Derivatives MERCK PATENT GMBH (DE) 2007-09-27 US claimed
US-20070225347-A1 Imidazole Derivatives MERCK PATENT GMBH (DE) 2007-09-27 US 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-20070225347-A1 Imidazole Derivatives TIE1, FLT1, FER KDR 4/4885RAF1 11/4885CDK8 545/4885

“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.