SCHEMBL2864472

SCHEMBL2864472

Nc1cc(F)c2[nH]nc(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.43
MAPKAPK2 P49137 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
CDK4 P11802 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
CCND3 P30281 1/20 0.39
KDR P35968 1/20 0.39
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39
CYP1A2 P05177 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL2869259 0.83 MAPK8 (0.39) IKBKBMAPKAPK2MAPK8MAPK9MAPK10
SCHEMBL2859993 0.80 ADORA1 (0.41) IKBKBMAPKAPK2MAPK8MAPK9MAPK10
SCHEMBL2858263 0.80 HTR7 (0.44) ADORA2AADORA1AURKANOTUMKDM4E
SCHEMBL2861275 0.79 CA12 (0.50) MAPK8MAPK9MAPK10CDK4CCNA2
SCHEMBL2857629 0.75 MAP2K4 (0.46) IKBKBMAPKAPK2CDK4CCNA2CCND1
SCHEMBL2867285 0.75 ITK (0.45) MAPKAPK2MAPK8CDK4CCNA2CCND1
SCHEMBL2864682 0.75 MAPKAPK2 (0.50) IKBKBMAPKAPK2MAPK8MAPK9MAPK10
SCHEMBL22889836 0.73 NTRK1 (0.44) ADORA2AADORA1
SCHEMBL4334282 0.72 SCN9A (0.39) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL4338506 0.72 GSK3B (0.50) CDK2

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 IKBKB 584/4885MAPKAPK2 18/4885MAPK8 10/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 IKBKB 451/4885MAPKAPK2 26/4885MAPK8 9/4885

“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.