SCHEMBL3530858

SCHEMBL3530858

Cc1ccc(C(=O)O)cc1-n1cc(-c2cnc(C3CC3)n2C)nn1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 3/20 0.43
BRAF P15056 10/20 0.39
ABL1 P00519 4/20 0.38
BCR P11274 4/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL4013972 0.91 GPR142 (0.42) GPR142BRAFABL1BCR
SCHEMBL4013976 0.83 FLT3 (0.35) GPR142BRAFABL1BCR
SCHEMBL3527932 0.82 TP53 (0.48) GPR142BRAFABL1BCRTP53
SCHEMBL3527702 0.82 GPR142 (0.40) GPR142BRAF
SCHEMBL3533111 0.80 GPR142 (0.54) GPR142BRAFABL1BCR
SCHEMBL13843768 0.78 SMN1; SMN2 (0.39) GPR142BRAFABL1BCR
SCHEMBL4032069 0.78 BRAF (0.45) GPR142BRAF
SCHEMBL4031152 0.77 BRAF (0.43) GPR142BRAF
SCHEMBL21611777 0.77 GPR142 (0.66) GPR142BRAFTP53
SCHEMBL4014724 0.75 BRAF (0.43) GPR142BRAF

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
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
EP-2010522-A1 PROCESS FOR MAKING CYTOKINE INHIBITING COMPOUNDS CONTAINING 4- AND 5- IMIDAZOLYL RINGS AND THE INTERMEDIATES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-07 EP disclosed
WO-2007121390-A1 PROCESS FOR MAKING CYTOKINE INHIBITING COMPOUNDS CONTAINING 4- AND 5- IMIDAZOLYL RINGS AND THE INTERMEDIATES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 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-20090137815-A1 Process for Making Cytokine Inhibiting Compounds Containing 4- and 5-Imidazolyl Rings and the Intermediates Thereof MIF, IL4, IL4I1 GPR142 3493/4885BRAF 2828/4885ABL1 1201/4885

“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.