SCHEMBL2863456

SCHEMBL2863456

COc1c(N)ccc2[nH]nc(-c3cccc(F)c3)c12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.48
NTRK1 P04629 1/20 0.47
FYN P06241 3/20 0.42
LRRK2 Q5S007 3/20 0.41
CLK2 P49760 2/20 0.41
CLK3 P49761 2/20 0.41
DYRK1A Q13627 2/20 0.41
MAP2K4 P45985 5/20 0.40
HTR7 P34969 1/20 0.40
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.38

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
SCHEMBL2863072 0.86 TTK (0.47) TTKNTRK1FYNLRRK2CLK2
SCHEMBL2864166 0.85 NTRK1 (0.49) TTKNTRK1FYNLRRK2CLK2
SCHEMBL2861737 0.84 MAP2K4 (0.43) TTKNTRK1FYNLRRK2CLK2
SCHEMBL2862698 0.83 NTRK1 (0.44) TTKNTRK1FYNLRRK2CLK2
SCHEMBL2864633 0.82 MAP2K4 (0.47) TTKNTRK1FYNLRRK2MAP2K4
SCHEMBL2857597 0.82 MAP2K4 (0.41) TTKNTRK1FYNLRRK2CLK2
SCHEMBL2871126 0.80 KDR (0.50) TTKLRRK2DYRK1AKDR
SCHEMBL2859116 0.79 MAP2K4 (0.48) TTKNTRK1FYNLRRK2MAP2K4
SCHEMBL4380129 0.78 NTRK1 (0.43) TTKNTRK1FYNLRRK2CLK2
SCHEMBL2862716 0.77 NTRK1 (0.55) TTKNTRK1FYNMAP2K4HTR7

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 13 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
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
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 TTK 1201/4885NTRK1 1241/4885FYN 235/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 TTK 1066/4885NTRK1 1387/4885FYN 353/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TTK 1201/4885NTRK1 1241/4885FYN 235/4885

“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.