SCHEMBL2862698

SCHEMBL2862698

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.44
TTK P33981 3/20 0.42
CHUK O15111 1/20 0.42
LRRK2 Q5S007 7/20 0.40
FYN P06241 1/20 0.40
HTR7 P34969 1/20 0.39
MAP2K1 Q02750 1/20 0.39
MAPK8 P45983 2/20 0.39
CLK2 P49760 2/20 0.38
CLK3 P49761 2/20 0.38
DYRK1A Q13627 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2A P29274 1/20 0.38
MAP2K4 P45985 1/20 0.37

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
SCHEMBL27536142 0.84 CHUK (0.46) NTRK1TTKCHUKLRRK2HTR7
SCHEMBL2863456 0.83 TTK (0.48) NTRK1TTKLRRK2FYNHTR7
SCHEMBL2863072 0.82 TTK (0.47) NTRK1TTKLRRK2FYNHTR7
SCHEMBL2864133 0.80 NTRK1 (0.53) NTRK1TTKCHUKLRRK2FYN
SCHEMBL2864166 0.79 NTRK1 (0.49) NTRK1TTKLRRK2FYNHTR7
SCHEMBL2864633 0.78 MAP2K4 (0.47) NTRK1TTKLRRK2FYNMAP2K4
SCHEMBL4139391 0.78 AURKA (0.52)
SCHEMBL4139395 0.78 AURKA (0.52)
SCHEMBL2859116 0.76 MAP2K4 (0.48) NTRK1TTKLRRK2FYNMAP2K4
SCHEMBL4380129 0.74 NTRK1 (0.43) NTRK1TTKLRRK2FYNHTR7

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 8 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-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 NTRK1 1241/4885TTK 1201/4885CHUK 79/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 NTRK1 1387/4885TTK 1066/4885CHUK 60/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 NTRK1 1241/4885TTK 1201/4885CHUK 79/4885

“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.