SCHEMBL4531077

SCHEMBL4531077

C[C@H](NC(=O)Nc1ccc(-c2ccncc2)cc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.70
ROCK2 O75116 10/20 0.68
ROCK1 Q13464 9/20 0.68
FLT3 P36888 2/20 0.67
RPS6KA5 O75582 1/20 0.67
MAP4K4 O95819 1/20 0.67
CDK1 P06493 1/20 0.67
CSF1R P07333 1/20 0.67
PRKACA P17612 1/20 0.67
FLT1 P17948 1/20 0.67
RPS6KB1 P23443 1/20 0.67
CDK2 P24941 1/20 0.67
MAPK1 P28482 1/20 0.67
AKT1 P31749 1/20 0.67
FLT4 P35916 1/20 0.67
KDR P35968 1/20 0.67
GSK3A P49840 1/20 0.67
GSK3B P49841 1/20 0.67
RPS6KA3 P51812 1/20 0.67
PRKX P51817 1/20 0.67

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
SCHEMBL4519247 1.00 HSD17B10 (0.70) HSD17B10ROCK2ROCK1FLT3RPS6KA5
SCHEMBL11615932 0.88 HSD17B10 (0.79) HSD17B10ROCK2ROCK1FLT3RPS6KA5
SCHEMBL15141127 0.85 ROCK2 (0.67) HSD17B10ROCK2ROCK1FLT3RPS6KA5
SCHEMBL9306563 0.83 HSD17B10 (1.00) HSD17B10FLT3CLK4NAMPTCYP2C9
SCHEMBL9306555 0.83 HSD17B10 (1.00) HSD17B10FLT3CLK4NAMPTCYP2C9
SCHEMBL4529785 0.83 ROCK2 (0.68) HSD17B10ROCK2ROCK1FLT3RPS6KA5
SCHEMBL4533295 0.83 ROCK2 (0.68) HSD17B10ROCK2ROCK1FLT3RPS6KA5
SCHEMBL28286785 0.82 ROCK2 (0.65) ROCK2ROCK1NAMPTCYP3A4CYP3A5
SCHEMBL10259303 0.82 ROCK2 (0.62) HSD17B10ROCK2ROCK1FLT3RPS6KA5
SCHEMBL10259736 0.82 ROCK2 (0.62) HSD17B10ROCK2ROCK1FLT3RPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA HSD17B10 1985/4885ROCK2 2/4885ROCK1 1/4885

“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.