SCHEMBL4525581

SCHEMBL4525581

NC(=O)[C@H](Cc1ccccc1Cl)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
CYP19A1 P11511 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
ROCK2 O75116 7/20 0.40
ROCK1 Q13464 7/20 0.40
HIF1A Q16665 2/20 0.40
NTRK1 P04629 1/20 0.39
CNR1 P21554 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
JAK2 O60674 1/20 0.37
TYK2 P29597 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
SCHEMBL27723694 1.00 P2RX7 (0.46) P2RX7CYP19A1SMN1; SMN2ROCK2ROCK1
SCHEMBL28773020 0.85 DPP4 (0.43) CYP19A1ROCK2ROCK1AAK1MAPK1
SCHEMBL4525347 0.85 DPP4 (0.43) CYP19A1ROCK2ROCK1AAK1MAPK1
SCHEMBL4527537 0.82 ROCK2 (0.54) ROCK2ROCK1MAPK1
SCHEMBL4530051 0.80 ROCK2 (0.52) SMN1; SMN2ROCK2ROCK1CNR1MAPK1
SCHEMBL27744394 0.80 ROCK2 (0.52) SMN1; SMN2ROCK2ROCK1CNR1MAPK1
SCHEMBL4630234 0.80 BLM (0.44) ROCK2ROCK1CNR1CYP1A2CYP3A4
SCHEMBL4535653 0.79 F10 (0.47) ROCK2ROCK1
SCHEMBL4523819 0.78 HPGDS (0.55) HIF1A
SCHEMBL27723733 0.78 HPGDS (0.55) HIF1A

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 P2RX7 4619/4885CYP19A1 3019/4885SMN1; SMN2 3046/4885

“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.