SCHEMBL2865609

SCHEMBL2865609

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.46
CCND1 P24385 2/20 0.46
CDK2 P24941 2/20 0.46
CCNA2 P20248 1/20 0.46
CCND3 P30281 1/20 0.46
KDR P35968 1/20 0.46
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
ITK Q08881 3/20 0.43
MAPK8 P45983 3/20 0.43
MAP4K4 O95819 1/20 0.43
ROS1 P08922 1/20 0.43
FLT3 P36888 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
AURKB Q96GD4 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
ALPL P05186 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL4335978 0.87 GSK3B (0.47) CDK4CCND1CDK2CCNA2CCND3
SCHEMBL2867933 0.86 CDK4 (0.42) CDK4CCND1CDK2CCNA2CCND3
SCHEMBL2865497 0.85 EGFR (0.43) CDK4CCND1CDK2CCNA2CCND3
SCHEMBL4338572 0.85 STK33 (0.47) NPC1RAB9ATTKLMNAPOLB
SCHEMBL4335934 0.85 NPC1 (0.46) ITKNPC1RAB9ALMNAPOLB
SCHEMBL2864750 0.83 CDK2 (0.43) CDK4CCND1CDK2CCNA2CCND3
SCHEMBL2866649 0.82 USP2 (0.48) MAPK8AURKBNPC1RAB9ATTK
SCHEMBL4346877 0.82 SMN1; SMN2 (0.46) CDK4CCND1CDK2CCNA2CCND3
SCHEMBL4346834 0.82 SMN1; SMN2 (0.46) CDK4CCND1CDK2CCNA2CCND3
SCHEMBL2861482 0.81 CDK4 (0.48) CDK4CCND1CDK2CCNA2CCND3

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 13 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
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
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP 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 CDK4 103/4885CCND1 210/4885CDK2 50/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 CDK4 165/4885CCND1 655/4885CDK2 154/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 CDK4 103/4885CCND1 210/4885CDK2 50/4885

“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.