SCHEMBL4525347

SCHEMBL4525347

NC(=O)[C@@H](Cc1ccccc1F)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.43
CYP19A1 P11511 1/20 0.42
HDAC4 P56524 1/20 0.42
ROCK1 Q13464 11/20 0.41
PRKACA P17612 3/20 0.41
ROCK2 O75116 8/20 0.40
NAMPT P43490 2/20 0.39
RPS6KA5 O75582 2/20 0.39
GSK3B P49841 2/20 0.39
PRKG1 Q13976 2/20 0.39
RPS6KA4 O75676 1/20 0.39
MAPK1 P28482 1/20 0.39
PRKX P51817 1/20 0.39
LIMK1 P53667 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NR3C2 P08235 1/20 0.38
CDC7 O00311 1/20 0.38

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
SCHEMBL28773020 1.00 DPP4 (0.43) DPP4CYP19A1HDAC4ROCK1PRKACA
SCHEMBL4525581 0.85 P2RX7 (0.46) CYP19A1ROCK1ROCK2MAPK1AAK1
SCHEMBL27723694 0.85 P2RX7 (0.46) CYP19A1ROCK1ROCK2MAPK1AAK1
SCHEMBL4527537 0.82 ROCK2 (0.54) ROCK1PRKACAROCK2RPS6KA5GSK3B
SCHEMBL27744382 0.81 HSP90AA1 (0.45) ROCK1PRKACAROCK2GSK3BNR3C2
SCHEMBL4534589 0.81 HSP90AA1 (0.45) ROCK1PRKACAROCK2GSK3BNR3C2
SCHEMBL4521922 0.80 GPR142 (0.47) CYP19A1ROCK1ROCK2NAMPTGSK3B
SCHEMBL4523467 0.80 GPR142 (0.47) CYP19A1ROCK1ROCK2NAMPTGSK3B
SCHEMBL27723699 0.80 GPR142 (0.47) CYP19A1ROCK1ROCK2NAMPTGSK3B
SCHEMBL4535653 0.79 F10 (0.47) DPP4ROCK1ROCK2DPP8AKT1

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 4 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO 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 DPP4 2060/4885CYP19A1 3019/4885HDAC4 75/4885

“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.