SCHEMBL3530762

SCHEMBL3530762

COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnc(-c5ccccc5)n4C)nn3)c2)cc(C2(C)CC2)cc1NS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 3/20 0.40
ABL1 P00519 5/20 0.38
BCR P11274 5/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
BRAF P15056 10/20 0.37
CDK9 P50750 1/20 0.36

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
SCHEMBL4032465 0.92 BRAF (0.39) GPR142ABL1BCRABCG2BRAF
SCHEMBL4034947 0.92 GPR142 (0.39) GPR142ABL1BCRABCG2BRAF
SCHEMBL4031826 0.91 GPR142 (0.40) GPR142ABL1BCRBRAF
SCHEMBL4035279 0.89 GPR142 (0.38) GPR142ABL1BCRBRAFCDK9
SCHEMBL4032212 0.89 GPR142 (0.41) GPR142ABL1BCRBRAF
SCHEMBL4036031 0.89 GPR142 (0.39) GPR142ABL1BCRBRAF
SCHEMBL303783 0.89 BRAF (0.41) GPR142BRAF
SCHEMBL3529320 0.89 BRAF (0.46) BRAF
SCHEMBL3535198 0.88 BRAF (0.40) GPR142BRAF
SCHEMBL303872 0.88 BRAF (0.43) BRAF

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-7858804-B2 Process for making cytokine inhibiting compounds containing 4- and 5-imidazolyl rings and the intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20090137815-A1 Process for Making Cytokine Inhibiting Compounds Containing 4- and 5-Imidazolyl Rings and the Intermediates Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 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-20090137815-A1 Process for Making Cytokine Inhibiting Compounds Containing 4- and 5-Imidazolyl Rings and the Intermediates Thereof MIF, IL4, IL4I1 GPR142 3493/4885ABL1 1201/4885BCR 759/4885

“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.