SCHEMBL4521922

SCHEMBL4521922

NC(=O)[C@@H](Cc1ccc(F)cc1)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 1/20 0.47
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CSF1R P07333 1/20 0.42
SCN9A Q15858 2/20 0.41
CYP19A1 P11511 1/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
ROCK1 Q13464 3/20 0.41
ROCK2 O75116 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PSMD14 O00487 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 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
SCHEMBL4523467 1.00 GPR142 (0.47) GPR142KMT2AMEN1TAAR1CSF1R
SCHEMBL27723699 1.00 GPR142 (0.47) GPR142KMT2AMEN1TAAR1CSF1R
SCHEMBL4529362 0.88 LHCGR (0.42) KMT2AMEN1SCN9ACYP19A1CHUK
SCHEMBL15577692 0.88 ALDH1A1 (0.46) KMT2ASCN9ACYP3A4CYP2C19
SCHEMBL27723705 0.88 KIF11 (0.48) ROCK1ROCK2L3MBTL1MAPTNAMPT
SCHEMBL4514306 0.88 KIF11 (0.48) ROCK1ROCK2L3MBTL1MAPTNAMPT
SCHEMBL4530051 0.87 ROCK2 (0.52) GPR142KMT2AMEN1ROCK1ROCK2
SCHEMBL27744394 0.87 ROCK2 (0.52) GPR142KMT2AMEN1ROCK1ROCK2
SCHEMBL4527537 0.87 ROCK2 (0.54) GPR142KMT2AMEN1ROCK1ROCK2
SCHEMBL4534348 0.85 ROCK1 (0.59) ROCK1ROCK2CYP3A4PIP4K2ACYP17A1

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 GPR142 3166/4885KMT2A 735/4885MEN1 1542/4885

“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.