SCHEMBL4339186

SCHEMBL4339186

COc1cc(C(=O)N[C@H](CO)C(C)C)cc2c(-c3cccc(F)c3)n[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.41
DGAT2 Q96PD7 2/20 0.40
ROCK2 O75116 8/20 0.40
ROCK1 Q13464 8/20 0.40
CTSA P10619 3/20 0.39
TRPV3 Q8NET8 1/20 0.38
GABRA5 P31644 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 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
SCHEMBL4335964 0.89 TRPV3 (0.42) DGAT2ROCK2ROCK1TRPV3GABRA5
SCHEMBL4339892 0.89 ROCK2 (0.44) DGAT2ROCK2ROCK1TRPV3GABRA5
SCHEMBL2859833 0.82 MAPK1 (0.54) DGAT2
SCHEMBL27558580 0.82 MAPK1 (0.54) DGAT2
SCHEMBL4343155 0.82 NTRK1 (0.47) NTRK1ROCK2ROCK1CTSATRPV3
SCHEMBL2861181 0.80 MAP2K4 (0.51) NTRK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2870015 0.79 DYRK1A (0.46) GABRA5
SCHEMBL4332230 0.79 MAPT (0.44) NTRK1ROCK2ROCK1TUBB4ATUBB
SCHEMBL4334956 0.77 HPGD (0.53)
SCHEMBL4341438 0.77 TTK (0.51) NTRK1ROCK2ROCK1

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 5 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-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 (1 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-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 NTRK1 1241/4885DGAT2 3122/4885ROCK2 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.