SCHEMBL6428608

SCHEMBL6428608

CNC(=O)[C@H](C)NC(=O)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
LMNA P02545 2/20 0.33
NTRK1 P04629 1/20 0.33
POLB P06746 2/20 0.33
AURKA O14965 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDR P35968 2/20 0.32
CHEK1 O14757 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CTSL P07711 1/20 0.31

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
SCHEMBL5034298 0.90 SCN9A (0.36) MAPK1ROCK2ROCK1LMNANOS3
SCHEMBL4153365 0.89 POLB (0.37) ROCK2LMNANTRK1POLBAURKA
SCHEMBL4153372 0.89 POLB (0.37) ROCK2LMNANTRK1POLBAURKA
SCHEMBL5031136 0.85 LMNA (0.35) MAPK1ROCK2ROCK1LMNANOS3
SCHEMBL6427759 0.85 LMNA (0.35) MAPK1ROCK2ROCK1LMNANOS3
SCHEMBL4150244 0.83 POLB (0.40) LMNANTRK1POLBSMN1; SMN2KMT2A
SCHEMBL4150256 0.83 POLB (0.40) LMNANTRK1POLBSMN1; SMN2KMT2A
SCHEMBL6429412 0.83 ACSS2 (0.39) MAPK1LMNANTRK1NOS3NOS1
SCHEMBL6426112 0.83 ACSS2 (0.39) MAPK1LMNANTRK1NOS3NOS1
SCHEMBL4148956 0.82 MEN1 (0.38) MAPK1NOS3NOS1NOS2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAPK1 6/4885ROCK2 560/4885ROCK1 826/4885

“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.