SCHEMBL4334040

SCHEMBL4334040

CC(C)[C@@H](CO)NC(=O)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDK4 P11802 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
CCND3 P30281 1/20 0.40
KDR P35968 1/20 0.40
MAPK1 P28482 13/20 0.39
MAPK3 P27361 2/20 0.39
CNR1 P21554 2/20 0.38
CYP3A4 P08684 1/20 0.38
DYRK1A Q13627 1/20 0.36

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
SCHEMBL4328980 0.87 CDK4 (0.49) ROCK2ROCK1CDK4CCNA2CCND1
SCHEMBL4341086 0.84 MAPK1 (0.41) ROCK2ROCK1CDK4CCNA2CCND1
SCHEMBL4326727 0.84 TRPV3 (0.47) MAPK1MAPK3
SCHEMBL4343384 0.83 MAPK1 (0.39) ROCK2ROCK1MAPK1MAPK3CNR1
SCHEMBL5032344 0.82 CNR1 (0.48) ROCK2ROCK1CDK4CCNA2CCND1
SCHEMBL4343373 0.79 ROCK2 (0.40) ROCK2ROCK1CDK4CCNA2CCND1
SCHEMBL13927653 0.79 CNR1 (0.44) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL2862300 0.78 MEN1 (0.47) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL2867207 0.77 KDR (0.48) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL6427310 0.77 CNR1 (0.44) MAPK1MAPK3CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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 (2 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ROCK2 805/4885ROCK1 504/4885CDK4 103/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ROCK2 805/4885ROCK1 504/4885CDK4 103/4885

“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.