SCHEMBL2857593

SCHEMBL2857593

NCc1cc2c(-c3cccc(F)c3)n[nH]c2cc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 9/20 0.48
NTRK1 P04629 1/20 0.47
FGFR2 P21802 2/20 0.46
FGFR3 P22607 2/20 0.46
FGFR1 P11362 1/20 0.46
TAAR1 Q96RJ0 2/20 0.42
DPP4 P27487 1/20 0.41
HTR7 P34969 1/20 0.41
AURKA O14965 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
MAPK6 Q16659 1/20 0.40
TDO2 P48775 1/20 0.40
MAP2K7 O14733 2/20 0.40
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 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
SCHEMBL2858876 0.84 NTRK1 (0.58) MAP2K4NTRK1FGFR2FGFR3FGFR1
SCHEMBL2859865 0.82 MAP2K4 (0.51) MAP2K4NTRK1HTR7AURKAMAPK1
SCHEMBL4378603 0.82 MAPKAPK2 (0.45) MAP2K4FGFR2FGFR3FGFR1AURKA
SCHEMBL6759015 0.80 TAAR1 (0.54) MAP2K4NTRK1FGFR2FGFR3FGFR1
SCHEMBL2863237 0.77 CSNK1D (0.52) MAP2K4NTRK1MAPK1
SCHEMBL4151581 0.76 CHEK1 (0.56) FGFR1AURKA
SCHEMBL4151579 0.76 CHEK1 (0.56) FGFR1AURKA
SCHEMBL2868118 0.76 MAP2K4 (0.48) MAP2K4NTRK1HTR7TDO2MAP2K7
SCHEMBL13635746 0.75 CSNK1D (0.49) MAP2K4NTRK1MAPK1
SCHEMBL2857674 0.75 MAP2K4 (0.60) MAP2K4MAPK1MAPKAPK3MAPK6MAP2K7

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 MAP2K4 61/4885NTRK1 1241/4885FGFR2 693/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MAP2K4 53/4885NTRK1 1387/4885FGFR2 1093/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAP2K4 61/4885NTRK1 1241/4885FGFR2 693/4885

“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.