SCHEMBL2863486

SCHEMBL2863486

O=C(O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 7/20 0.52
DHODH Q02127 3/20 0.45
MAPK1 P28482 2/20 0.44
MAPK6 Q16659 2/20 0.44
DCLRE1B Q9H816 1/20 0.44
MAPKAPK3 Q16644 1/20 0.44
TTK P33981 2/20 0.43
NOTUM Q6P988 1/20 0.41
PIN1 Q13526 1/20 0.40
KDR P35968 1/20 0.40
HTR7 P34969 1/20 0.40
GRK6 P43250 1/20 0.39
KMO O15229 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 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
SCHEMBL27536113 0.85 MAP2K4 (0.47) MAP2K4TTKKDRGSK3AGSK3B
SCHEMBL2864633 0.84 MAP2K4 (0.47) MAP2K4DHODHMAPK1MAPK6DCLRE1B
SCHEMBL2857443 0.82 CA12 (0.46) MAP2K4DHODHMAPK1MAPK6MAPKAPK3
SCHEMBL2866826 0.82 DYRK1A (0.52) MAP2K4KDRGSK3AGSK3B
SCHEMBL4334940 0.80 MAP4K4 (0.48) MAP2K4MAPK1TTKNOTUMGSK3B
SCHEMBL4338787 0.79 MAP2K4 (0.40) MAP2K4MAPK1TTKKDR
SCHEMBL4343387 0.79 MAPK1 (0.52) MAPK1
SCHEMBL2861737 0.79 MAP2K4 (0.43) MAP2K4TTKNOTUMKDRHTR7
SCHEMBL4340944 0.79 DYRK1A (0.38) MAP2K4MAPK1KDRGRK6GSK3B
SCHEMBL4340999 0.79 WNT1 (0.51) MAPK1

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 14 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
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 61/4885DHODH 4329/4885MAPK1 1/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MAP2K4 53/4885DHODH 3251/4885MAPK1 1/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAP2K4 61/4885DHODH 4329/4885MAPK1 1/4885

“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.