SCHEMBL962190

SCHEMBL962190

Cc1ccccc1CNC(=O)Nc1c(C)sc2cnccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
NAMPT P43490 4/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MAOB P27338 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
TP53 P04637 1/20 0.41
NOTUM Q6P988 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.39
CACNA1G O43497 1/20 0.39

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
SCHEMBL963028 0.91 KDM4C (0.46) ROCK2ROCK1NAMPTALDH1A1MEN1
SCHEMBL964090 0.89 ATG4B (0.47) ROCK2ROCK1NAMPTALDH1A1MEN1
SCHEMBL966362 0.89 ROCK2 (0.49) ROCK2ROCK1NAMPTMEN1PKM
SCHEMBL965634 0.89 ROCK2 (0.49) ROCK2ROCK1NAMPTNPC1RAB9A
SCHEMBL961709 0.88 ROCK2 (0.53) ROCK2ROCK1ALDH1A1MEN1KMT2A
SCHEMBL962477 0.87 NPC1 (0.50) ROCK2ROCK1NAMPTNPC1RAB9A
SCHEMBL965409 0.86 IMPDH2 (0.49) ROCK2ROCK1NAMPTMEN1KMT2A
SCHEMBL964600 0.82 ROCK2 (0.49) ROCK2ROCK1NAMPTALDH1A1MEN1
SCHEMBL966705 0.81 NAMPT (0.44) ROCK2ROCK1NAMPTMEN1KMT2A
SCHEMBL963791 0.81 ROCK2 (0.51) ROCK2ROCK1TRPV1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501769-B2 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. (US) 2013-08-06 US claimed
US-7875627-B2 e.g.1-(4-Chloro-benzyl)-3-(2-methyl-thieno[2,3-c]pyridin-3-yl)-urea; 2-Methyl-thieno[2,3-c]pyridin-3-yl)-carbamic acid 4-trifluoromethylsulfanyl-benzyl ester; controlling pain, urinary incontinence, bladder overactivity, and inflammatory thermal hyperalgesia in mammals ABBOTT LABORATORIES (US) 2011-01-25 US claimed
US-20060148843-A1 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. 2006-07-06 US claimed
US-8501769-B2 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. (US) 2013-08-06 US disclosed
US-20110082170-A1 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-07 US disclosed
US-7875627-B2 e.g.1-(4-Chloro-benzyl)-3-(2-methyl-thieno[2,3-c]pyridin-3-yl)-urea; 2-Methyl-thieno[2,3-c]pyridin-3-yl)-carbamic acid 4-trifluoromethylsulfanyl-benzyl ester; controlling pain, urinary incontinence, bladder overactivity, and inflammatory thermal hyperalgesia in mammals ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
US-20060148843-A1 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. 2006-07-06 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 (2 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-20060148843-A1 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof TRPV1, GPR55, P2RX6 ROCK2 2602/4885ROCK1 1181/4885NAMPT 2031/4885
US-20110082170-A1 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF TRPV1, GPR55, P2RX6 ROCK2 2602/4885ROCK1 1181/4885NAMPT 2031/4885

“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.