SCHEMBL4529608

SCHEMBL4529608

N[C@H](C(=O)Nc1ccc(-c2ccncc2)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.49
TTK P33981 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
TRPV1 Q8NER1 5/20 0.43
TYK2 P29597 1/20 0.43
HDAC4 P56524 1/20 0.42
KIF11 P52732 1/20 0.42
ROCK2 O75116 6/20 0.41
ROCK1 Q13464 6/20 0.41
KDR P35968 2/20 0.41
FLT3 P36888 2/20 0.41
PLK4 O00444 1/20 0.41
MAP4K4 O95819 1/20 0.41
LCK P06239 1/20 0.41
CSF1R P07333 1/20 0.41
ROS1 P08922 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
AXL P30530 1/20 0.41
AKT1 P31749 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
SCHEMBL4518392 0.84 HDAC4 (0.56) AAK1TAAR1TYK2HDAC4ROCK2
SCHEMBL4530746 0.82 ROCK2 (0.44) AAK1TRPV1TYK2HDAC4ROCK2
SCHEMBL27744404 0.81 AAK1 (0.52) AAK1TAAR1TYK2ROCK2ROCK1
SCHEMBL4520733 0.81 AAK1 (0.52) AAK1TAAR1TYK2ROCK2ROCK1
SCHEMBL4527223 0.79 AAK1 (0.53) AAK1TAAR1ROCK2ROCK1SMN1; SMN2
SCHEMBL14605521 0.78 AAK1 (0.52) AAK1TAAR1HDAC4ROCK2ROCK1
SCHEMBL4531698 0.78 ROCK2 (0.62) AAK1TAAR1ROCK2ROCK1MAP4K4
SCHEMBL27744413 0.78 ROCK2 (0.62) AAK1TAAR1ROCK2ROCK1MAP4K4
SCHEMBL4527170 0.78 ROCK2 (0.62) AAK1TAAR1ROCK2ROCK1MAP4K4
SCHEMBL27723736 0.77 AAK1 (0.42) AAK1TRPV1KIF11ROCK2ROCK1

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 9 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
CN-101253152-A Amide derivatives as ROCK inhibitors ASTELLAS PHARMA INC (JP) 2008-08-27 CN 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 AAK1 736/4885TTK 957/4885TAAR1 3374/4885

“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.