SCHEMBL963028

SCHEMBL963028

Cc1cccc(CNC(=O)Nc2c(C)sc3cnccc23)c1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 3/20 0.44
TRPV1 Q8NER1 4/20 0.41
NAMPT P43490 5/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 1/20 0.38
DGAT2 Q96PD7 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL962190 0.91 ROCK2 (0.51) ROCK2ROCK1TRPV1NAMPTCYP2C9
SCHEMBL961709 0.86 ROCK2 (0.53) ROCK2ROCK1TRPV1CYP2C9MEN1
SCHEMBL966362 0.85 ROCK2 (0.49) ROCK2ROCK1TRPV1NAMPTCYP2C9
SCHEMBL964090 0.85 ATG4B (0.47) ROCK2ROCK1TRPV1NAMPTCYP2C9
SCHEMBL965634 0.85 ROCK2 (0.49) ROCK2ROCK1NAMPTCYP2C9DGAT2
SCHEMBL962477 0.83 NPC1 (0.50) KDM4CROCK2ROCK1NAMPTCYP2C9
SCHEMBL965409 0.82 IMPDH2 (0.49) ROCK2ROCK1TRPV1NAMPTMEN1
SCHEMBL963778 0.81 ROCK2 (0.53) ROCK2ROCK1TRPV1NAMPTNPC1
SCHEMBL964600 0.80 ROCK2 (0.49) ROCK2ROCK1TRPV1NAMPTMEN1
SCHEMBL966705 0.80 NAMPT (0.44) ROCK2ROCK1TRPV1NAMPTMEN1

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 KDM4C 2494/4885ROCK2 2602/4885ROCK1 1181/4885
US-20110082170-A1 THIENOPYRIDYL COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF TRPV1, GPR55, P2RX6 KDM4C 2494/4885ROCK2 2602/4885ROCK1 1181/4885

“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.