SCHEMBL4336438

SCHEMBL4336438

COc1cc2[nH]nc(-c3ccc4ccccc4c3)c2cc1C(=O)N[C@H](CO)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.49
CDK4 P11802 1/20 0.49
CCNA2 P20248 1/20 0.49
CCND1 P24385 1/20 0.49
CDK2 P24941 1/20 0.49
CCND3 P30281 1/20 0.49
KDR P35968 1/20 0.49
MAPK1 P28482 8/20 0.48
ROCK2 O75116 5/20 0.47
ROCK1 Q13464 5/20 0.47
TACR3 P29371 1/20 0.46
ADORA2A P29274 1/20 0.45

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) CTSACDK4CCNA2CCND1CDK2
SCHEMBL4329239 0.84 MAPK1 (0.45) MAPK1ROCK2ROCK1TACR3ADORA2A
SCHEMBL4334591 0.84 ROCK2 (0.48) CTSAMAPK1ROCK2ROCK1TACR3
SCHEMBL13635761 0.83 CDK4 (0.57) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4341430 0.83 CDK4 (0.51) CTSACDK4CCNA2CCND1CDK2
SCHEMBL2858040 0.82 CDK4 (0.60) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL5034342 0.80 MAPK1 (0.51) CDK2MAPK1ROCK2ROCK1
SCHEMBL2864604 0.79 RAB9A (0.54) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL2861022 0.79 KDR (0.50) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4341021 0.77 MAPT (0.49) CDK4CCNA2CCND1CDK2CCND3

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 6 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
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 CTSA 4048/4885CDK4 103/4885CCNA2 398/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 CTSA 4048/4885CDK4 103/4885CCNA2 398/4885

“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.