SCHEMBL2861022

SCHEMBL2861022

COc1cc2[nH]nc(-c3ccc4ccccc4c3)c2cc1C(=O)NCC1CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
CDK4 P11802 1/20 0.50
CCNA2 P20248 1/20 0.50
CCND1 P24385 1/20 0.50
CDK2 P24941 1/20 0.50
CCND3 P30281 1/20 0.50
AURKA O14965 1/20 0.47
LCK P06239 1/20 0.47
MET P08581 1/20 0.47
TEK Q02763 1/20 0.47
AURKB Q96GD4 1/20 0.47
GSK3B P49841 9/20 0.45
MAPK1 P28482 1/20 0.43
ITK Q08881 1/20 0.43
DKK1 O94907 1/20 0.42
HTR4 Q13639 2/20 0.42
PAK1 Q13153 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
SCHEMBL4333955 0.87 KDM4E (0.56) MAPK1
SCHEMBL2864604 0.86 RAB9A (0.54) KDRDRD2DRD4CDK4CCNA2
SCHEMBL13635761 0.84 CDK4 (0.57) KDRCDK4CCNA2CCND1CDK2
SCHEMBL2864411 0.84 MAPK10 (0.46) KDRDRD2DRD4AURKALCK
SCHEMBL2864362 0.83 GSK3B (0.44) KDRDRD2DRD4CDK4CCNA2
SCHEMBL4341021 0.81 MAPT (0.49) KDRCDK4CCNA2CCND1CDK2
SCHEMBL4340622 0.81 KMT2A (0.52) KDRCDK4CCNA2CCND1CDK2
SCHEMBL2858040 0.81 CDK4 (0.60) KDRCDK4CCNA2CCND1CDK2
SCHEMBL2868363 0.81 ITK (0.58) GSK3BMAPK1ITK
SCHEMBL4331277 0.80 MAPK1 (0.47) KDRCDK4CCNA2CCND1CDK2

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 11 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-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-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-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 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 (3 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 KDR 2411/4885DRD2 1274/4885DRD4 1556/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 KDR 3273/4885DRD2 2156/4885DRD4 2145/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 KDR 2411/4885DRD2 1274/4885DRD4 1556/4885

“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.