SCHEMBL3608221

SCHEMBL3608221

Cn1c(C(=O)Nc2cc[c]cc2)cc2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.57
THRB P10828 1/20 0.56
MCL1 Q07820 1/20 0.55
RXFP1 Q9HBX9 1/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
GRM4 Q14833 1/20 0.53
AHR P35869 2/20 0.52
CNR2 P34972 1/20 0.52
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
KDM1A O60341 3/20 0.50
RCOR1 Q9UKL0 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL6017856 0.88 MCL1 (0.66) ROCK1THRBMCL1RXFP1MEN1
SCHEMBL3608218 0.80 MCL1 (0.54) ROCK1THRBMCL1RXFP1MEN1
SCHEMBL14626728 0.79 PTGDR2 (0.59) ROCK1THRBMCL1RXFP1MEN1
SCHEMBL29581946 0.77 MCL1 (0.67) ROCK1MCL1MEN1NPC1RAB9A
SCHEMBL1093913 0.77 MCL1 (0.67) ROCK1MCL1MEN1NPC1RAB9A
SCHEMBL13406296 0.77 KDM4E (0.56) MEN1NPC1RAB9AKMT2AGRM4
SCHEMBL14591857 0.76 PTGDR2 (0.56) ROCK1THRBMCL1RXFP1MEN1
SCHEMBL6989729 0.76 ROCK1 (0.53) ROCK1THRBMCL1RXFP1MEN1
SCHEMBL30525414 0.76 MCL1 (0.65) ROCK1MCL1MEN1NPC1RAB9A
SCHEMBL2330423 0.75 ROCK1 (0.52) ROCK1THRBMCL1RXFP1MEN1

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-8273736-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-18 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-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK ROCK1 621/4885THRB 806/4885MCL1 731/4885

“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.