SCHEMBL2858261

SCHEMBL2858261

NC(=O)n1nc(-c2cccc(F)c2)c2c[c]cc(F)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.37
HPGDS O60760 1/20 0.36
CSNK1E P49674 13/20 0.36
CSNK1D P48730 12/20 0.36
MAP4K4 O95819 1/20 0.36
ADORA2A P29274 1/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
CHEK2 O96017 1/20 0.34
CDK1 P06493 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR3 P22607 1/20 0.34
RPS6KB1 P23443 1/20 0.34
CDK2 P24941 1/20 0.34
MARK3 P27448 1/20 0.34

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
SCHEMBL2861119 0.88 PDE4B (0.36) PTGER1HPGDSCSNK1ECSNK1DMAP4K4
SCHEMBL2864469 0.84 SRC (0.42) MAP4K4ADORA2ACHEK2KDRGSK3B
SCHEMBL4149522 0.77 NFE2L2 (0.39) CHEK1CDK1CDK2
SCHEMBL4149526 0.77 NFE2L2 (0.39) CHEK1CDK1CDK2
SCHEMBL2863047 0.76 PTGER1 (0.39) PTGER1HPGDSCSNK1ECSNK1DMAP4K4
SCHEMBL2864915 0.72 TRPA1 (0.36) PTGER1CSNK1ECSNK1DPLK4CHEK1
SCHEMBL2868714 0.70 HPGDS (0.35) PTGER1HPGDSCSNK1ECSNK1DMAP4K4
SCHEMBL4139804 0.69 ENPP2 (0.36)
SCHEMBL4139807 0.69 ENPP2 (0.36)
SCHEMBL4149445 0.69 HPGDS (0.36) PTGER1HPGDSCSNK1ECSNK1DMAP4K4

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 6 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
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-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 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 (2 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 PTGER1 3143/4885HPGDS 3040/4885CSNK1E 202/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 PTGER1 4240/4885HPGDS 3790/4885CSNK1E 130/4885

“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.