SCHEMBL2864633

SCHEMBL2864633

COc1c(C(=O)O)ccc2[nH]nc(-c3cccc(F)c3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 7/20 0.47
TTK P33981 2/20 0.44
NTRK1 P04629 1/20 0.44
LRRK2 Q5S007 2/20 0.40
DHODH Q02127 4/20 0.40
MAPK1 P28482 2/20 0.40
MAPK6 Q16659 2/20 0.40
DCLRE1B Q9H816 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40

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
SCHEMBL2863486 0.84 MAP2K4 (0.52) MAP2K4TTKDHODHMAPK1MAPK6
SCHEMBL2861298 0.84 DYRK1A (0.49) MAP2K4NTRK1LRRK2
SCHEMBL4343211 0.83 MAP4K4 (0.45) MAP2K4TTKNTRK1LRRK2
SCHEMBL2863456 0.82 TTK (0.48) MAP2K4TTKNTRK1LRRK2FYN
SCHEMBL2861482 0.82 CDK4 (0.48)
SCHEMBL2863072 0.81 TTK (0.47) MAP2K4TTKNTRK1LRRK2TUBB4A
SCHEMBL4339874 0.81 NTRK1 (0.41) TTKNTRK1LRRK2MAPK1
SCHEMBL27536113 0.81 MAP2K4 (0.47) MAP2K4TTKNTRK1LRRK2TACR3
SCHEMBL2864651 0.80 APEX1 (0.52)
SCHEMBL4339183 0.79 HPGD (0.48) NTRK1MAPK1

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 11 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
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

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 61/4885TTK 1201/4885NTRK1 1241/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MAP2K4 53/4885TTK 1066/4885NTRK1 1387/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAP2K4 61/4885TTK 1201/4885NTRK1 1241/4885

“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.