SCHEMBL4339874

SCHEMBL4339874

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
MAPK1 P28482 7/20 0.40
ROCK2 O75116 6/20 0.38
ROCK1 Q13464 6/20 0.38
TRPV3 Q8NET8 1/20 0.38
LRRK2 Q5S007 2/20 0.37
TTK P33981 1/20 0.37
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
CTSA P10619 1/20 0.35

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
SCHEMBL4343373 0.86 ROCK2 (0.40) MAPK1ROCK2ROCK1LRRK2JAK2
SCHEMBL4343155 0.83 NTRK1 (0.47) NTRK1MAPK1ROCK2ROCK1TRPV3
SCHEMBL5031154 0.83 TRPV3 (0.41) MAPK1ROCK2ROCK1TRPV3
SCHEMBL4343211 0.81 MAP4K4 (0.45) NTRK1LRRK2TTKJAK2JAK3
SCHEMBL2864633 0.81 MAP2K4 (0.47) NTRK1MAPK1LRRK2TTK
SCHEMBL2861298 0.80 DYRK1A (0.49) NTRK1LRRK2
SCHEMBL27558580 0.79 MAPK1 (0.54) MAPK1
SCHEMBL2859833 0.79 MAPK1 (0.54) MAPK1
SCHEMBL4327632 0.78 MKNK1 (0.47) ROCK2ROCK1JAK2JAK3
SCHEMBL4341447 0.78 JAK2 (0.40) MAPK1ROCK2ROCK1TRPV3JAK2

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 7 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
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-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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 (2 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 1241/4885MAPK1 1/4885ROCK2 805/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 NTRK1 1241/4885MAPK1 1/4885ROCK2 805/4885

“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.