SCHEMBL9922391

SCHEMBL9922391

COc1ccc2c(=O)c(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3)n[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.45
ENPP1 P22413 1/20 0.41
CHEK1 O14757 1/20 0.40
NLRP3 Q96P20 1/20 0.39
KIT P10721 1/20 0.39
MAP2K4 P45985 1/20 0.39
TTK P33981 1/20 0.38
MAPK8 P45983 1/20 0.38
ITK Q08881 2/20 0.38
CCNE2 O96020 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
LRRK2 Q5S007 1/20 0.37
MMP3 P08254 1/20 0.37
MAPK1 P28482 2/20 0.37
FBP1 P09467 1/20 0.37
DHODH Q02127 1/20 0.36

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
SCHEMBL12161694 0.92 ROCK1 (0.44) ROCK1ENPP1CHEK1NLRP3KIT
SCHEMBL13638644 0.89 FBP1 (0.42) ROCK1CHEK1NLRP3MAP2K4ITK
SCHEMBL9923260 0.88 KIT (0.43) ROCK1CHEK1NLRP3KITMAP2K4
SCHEMBL14088508 0.81 MEN1 (0.42) ROCK1CHEK1NLRP3ITKFBP1
SCHEMBL9922623 0.80 MEN1 (0.42) ROCK1CHEK1MAP2K4ITKMAPK1
SCHEMBL12161716 0.80 P2RY12 (0.44) ROCK1CHEK1NLRP3KITMAP2K4
SCHEMBL9922908 0.79 DHODH (0.42) NLRP3DHODH
SCHEMBL9922962 0.76 NAMPT (0.46) ROCK1KITMAP2K4TTKFBP1
SCHEMBL14228352 0.75 CA12 (0.39) ROCK1KITTTKITK
SCHEMBL9923257 0.73 HTR2C (0.43) FBP1

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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 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 (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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 ROCK1 4003/4885ENPP1 323/4885CHEK1 4505/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 ROCK1 3987/4885ENPP1 335/4885CHEK1 4488/4885

“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.