SCHEMBL961709

SCHEMBL961709

Cc1sc2cnccc2c1NC(=O)NCc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.53
ROCK1 Q13464 2/20 0.53
MMP3 P08254 1/20 0.52
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATG4B Q9Y4P1 1/20 0.49
TRPV1 Q8NER1 5/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
MAPK8 P45983 2/20 0.44
MAPK10 P53779 2/20 0.44
MAPK9 P45984 1/20 0.44
CYP2C9 P11712 1/20 0.42
ROS1 P08922 1/20 0.41
RPS6KB1 P23443 1/20 0.41
ANPEP P15144 1/20 0.41
HCRTR1 O43613 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41

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 0.88 ROCK2 (0.51) ROCK2ROCK1MEN1KMT2ATRPV1
SCHEMBL965634 0.86 ROCK2 (0.49) ROCK2ROCK1MAPK1CYP2C9RAB9A
SCHEMBL966362 0.86 ROCK2 (0.49) ROCK2ROCK1MEN1KMT2ATRPV1
SCHEMBL964090 0.86 ATG4B (0.47) ROCK2ROCK1MAPTMEN1KMT2A
SCHEMBL963028 0.86 KDM4C (0.46) ROCK2ROCK1MEN1KMT2ATRPV1
SCHEMBL965409 0.86 IMPDH2 (0.49) ROCK2ROCK1MMP3MEN1KMT2A
SCHEMBL963778 0.82 ROCK2 (0.53) ROCK2ROCK1TRPV1RAB9ASMN1; SMN2
SCHEMBL964600 0.81 ROCK2 (0.49) ROCK2ROCK1MEN1KMT2ATRPV1
SCHEMBL967055 0.80 NPC1 (0.52) ROCK2ROCK1MEN1KMT2AATG4B
SCHEMBL965354 0.80 ATG4B (0.48) ROCK2ROCK1MAPTMEN1KMT2A

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 3 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

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-20060148843-A1 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof TRPV1, GPR55, P2RX6 ROCK2 2602/4885ROCK1 1181/4885MMP3 3247/4885

“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.