SCHEMBL10187553

SCHEMBL10187553

OC1(c2ccncc2Br)COC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.35
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
AXL P30530 1/20 0.30

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
SCHEMBL4067360 0.80 CYP17A1 (0.40) SLC22A12CCNCCDK8AXL
SCHEMBL13737239 0.80 L3MBTL1 (0.41) CCNCCDK8AXL
SCHEMBL18086921 0.79 SLC22A12 (0.38) SLC22A12CCNCCDK8
SCHEMBL16866387 0.79 L3MBTL1 (0.43) CCNCCDK8
SCHEMBL13964249 0.76 PDE10A (0.32)
SCHEMBL15241133 0.75 SLC22A12 (0.35) SLC22A12
SCHEMBL13964250 0.75 OPRM1 (0.37) CCNCCDK8
SCHEMBL13964251 0.75 POLB (0.35) CCNCCDK8
SCHEMBL16702331 0.72 SLC22A12 (0.39) SLC22A12
SCHEMBL13964096 0.70 KDM4E (0.36) CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593453-B1 AZAINDAZOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2014-09-17 EP disclosed
EP-2593453-B1 AZAINDAZOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2014-09-17 EP disclosed
US-8673922-B2 Azaindazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 US disclosed
US-8673922-B2 Azaindazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 US disclosed
US-8673922-B2 Azaindazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-18 US disclosed
US-20130184254-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
US-20130184254-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
US-20130184254-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
WO-2012009510-A1 AZAINDAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-19 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-20130184254-A1 AZAINDAZOLE COMPOUNDS CYP3A4, CYP4B1, CYP3A43 SLC22A12 1585/4885CCNC 1187/4885CDK8 414/4885

“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.