SCHEMBL2867933

SCHEMBL2867933

COCCC(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 1/20 0.42
CCND3 P30281 1/20 0.42
KDR P35968 1/20 0.42
ALPL P05186 1/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
ITK Q08881 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 3/20 0.38
EGFR P00533 2/20 0.38
NPY5R Q15761 1/20 0.37
HPGD P15428 1/20 0.37
LRRK2 Q5S007 1/20 0.37
ROCK1 Q13464 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL2865497 0.90 EGFR (0.43) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL2865609 0.86 CDK4 (0.46) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL2866649 0.83 USP2 (0.48) MEN1KMT2AMAPK1HPGD
SCHEMBL2867192 0.83 TNIK (0.41) ITKMEN1KMT2ASIRT2
SCHEMBL4335978 0.82 GSK3B (0.47) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4338572 0.81 STK33 (0.47) MEN1KMT2AHPGD
SCHEMBL4335934 0.81 NPC1 (0.46) ITKMEN1KMT2AMAPK1HPGD
SCHEMBL2867504 0.80 CDK4 (0.45) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL2864750 0.78 CDK2 (0.43) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL2868594 0.77 MAPK1 (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 12 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
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 103/4885CCNA2 398/4885CCND1 210/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 CDK4 165/4885CCNA2 1567/4885CCND1 655/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 CDK4 103/4885CCNA2 398/4885CCND1 210/4885

“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.