SCHEMBL13198243

SCHEMBL13198243

COc1c(C(=O)NC2CCOC2=O)ccc2[nH]nc(-c3ccc4ccccc4c3)c12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
KDR P35968 2/20 0.38
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CCND3 P30281 1/20 0.38
SCN9A Q15858 2/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 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
SCHEMBL4333000 1.00 MAPK1 (0.41) MAPK1KDRCDK4CCNA2CCND1
SCHEMBL4339195 0.87 SIRT2 (0.40) MAPK1MEN1CYP1A2KMT2A
SCHEMBL2864594 0.87 KDR (0.47) KDRCDK4CCNA2CCND1CDK2
SCHEMBL4334013 0.85 MAPK10 (0.43) MAPK1SCN9ASLC6A3
SCHEMBL4331277 0.84 MAPK1 (0.47) MAPK1KDRCDK4CCNA2CCND1
SCHEMBL2864362 0.81 GSK3B (0.44) KDRCDK4CCNA2CCND1CDK2
SCHEMBL2867873 0.79 MAPK1 (0.47) MAPK1
SCHEMBL4332180 0.79 ALDH1A1 (0.52) MEN1KMT2A
SCHEMBL2861482 0.79 CDK4 (0.48) KDRCDK4CCNA2CCND1CDK2
SCHEMBL13636075 0.78 CDK4 (0.47) MAPK1KDRCDK4CCNA2CCND1

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-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

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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK1 1/4885KDR 2411/4885CDK4 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.