SCHEMBL6094016

SCHEMBL6094016

O=C(NCc1ccccc1)Nc1ccc2[nH]c(-c3nccs3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.52
ROCK1 Q13464 2/20 0.52
NAMPT P43490 7/20 0.52
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
RAB9A P51151 1/20 0.48
IMPDH2 P12268 1/20 0.47
KDR P35968 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
PTPN7 P35236 1/20 0.46
ITK Q08881 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL6091476 0.87 KMT2A (0.46) ROCK2ROCK1NAMPTRAB9AKDM4E
SCHEMBL6096686 0.82 EPHX1 (0.48) NAMPTRAB9AKDRPTPN7HTT
SCHEMBL6094221 0.82 RAB9A (0.48) ROCK2ROCK1NAMPTRAB9AHTT
SCHEMBL6092098 0.82 HSD17B10 (0.46) ROCK2ROCK1ADORA2BADORA1RAB9A
SCHEMBL4371236 0.81 ROCK2 (0.47) ROCK2ROCK1ADORA2BADORA1RAB9A
SCHEMBL4363701 0.80 ROCK2 (0.52) ROCK2ROCK1NAMPTRAB9AIMPDH2
SCHEMBL4372959 0.78 KDM4E (0.44) ROCK2RAB9AKDM4E
SCHEMBL6093269 0.78 ROCK2 (0.51) ROCK2ROCK1ADORA1RAB9AKDR
SCHEMBL4368860 0.78 ROCK2 (0.51) ROCK2RAB9AKDRHTTKDM4E
SCHEMBL20707804 0.77 ADORA2A (0.46) RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-02-16 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-20060036098-A1 Carbonylamino-benzimidazole derivatives as androgen receptor modulators AR, SHBG, BRCA1 ROCK2 1265/4885ROCK1 609/4885NAMPT 3989/4885

“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.