SCHEMBL2865039

SCHEMBL2865039

CN(C)CCC(=O)Nc1cc2c(-c3cccc(F)c3)n[nH]c2cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
GSK3B P49841 4/20 0.43
MAPK1 P28482 2/20 0.43
MAP2K4 P45985 1/20 0.43
CLK2 P49760 3/20 0.42
CLK3 P49761 3/20 0.42
DYRK1A Q13627 3/20 0.42
EGFR P00533 1/20 0.42
CSNK1D P48730 1/20 0.42
CYP1A2 P05177 1/20 0.41
WNT1 P04628 2/20 0.41
TERT O14746 1/20 0.41
MAPK8 P45983 2/20 0.41
MAPK10 P53779 2/20 0.41
MAPK14 Q16539 2/20 0.41
HTR6 P50406 1/20 0.40

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
SCHEMBL2867399 0.89 EGFR (0.50) GSK3ACCNB2CDK1CCNB1CCNB3
SCHEMBL2860793 0.83 GSK3A (0.41) GSK3ACCNB2CDK1CCNB1CCNB3
SCHEMBL4335929 0.78 DYRK1A (0.46) MAPK1MAP2K4CLK2CLK3DYRK1A
SCHEMBL4343203 0.78 WNT1 (0.52) MAPK1MAP2K4DYRK1ACSNK1DWNT1
SCHEMBL4333014 0.77 GSK3B (0.65) GSK3AGSK3BMAP2K4CLK2WNT1
SCHEMBL2863515 0.77 NTRK1 (0.49) GSK3AGSK3BMAPK1MAP2K4CLK2
SCHEMBL4332627 0.73 MAPK8 (0.49) MAPK1MAP2K4DYRK1ACSNK1DWNT1
SCHEMBL13198260 0.73 NTRK1 (0.49) GSK3AGSK3BMAPK1MAP2K4EGFR
SCHEMBL2867504 0.73 CDK4 (0.45) GSK3AGSK3BMAPK1MAPK14
SCHEMBL27558524 0.72 MAP2K4 (0.54) GSK3AGSK3BMAPK1MAP2K4DYRK1A

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 15 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
CN-1300116-C 1H-indazole compounds EISAI CO LTD (JP) 2007-02-14 CN 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
CN-1512987-A Novel 1H-indazole compound ������������ʽ���� 2004-07-14 CN 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 GSK3A 1159/4885CCNB2 344/4885CDK1 39/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 GSK3A 1117/4885CCNB2 1263/4885CDK1 105/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 GSK3A 1159/4885CCNB2 344/4885CDK1 39/4885

“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.