SCHEMBL4331956

SCHEMBL4331956

COc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(-c3cc4ccccc4o3)c12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.44
TACR3 P29371 2/20 0.42
SIRT6 Q8N6T7 1/20 0.40
ROCK2 O75116 6/20 0.39
ROCK1 Q13464 6/20 0.39
POLB P06746 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL13636099 0.90 TACR3 (0.40) MAPK1TACR3SIRT6ROCK2ROCK1
SCHEMBL4346677 0.90 TACR3 (0.40) MAPK1TACR3SIRT6ROCK2ROCK1
SCHEMBL4327632 0.87 MKNK1 (0.47) TACR3SIRT6ROCK2ROCK1POLB
SCHEMBL4334591 0.84 ROCK2 (0.48) MAPK1TACR3ROCK2ROCK1
SCHEMBL4342246 0.84 MAOA (0.40) TACR3SIRT6POLBJAK2JAK3
SCHEMBL2872405 0.83 MAPT (0.41) POLBJAK2JAK3KDM4EMEN1
SCHEMBL4339890 0.82 MAPK1 (0.44) MAPK1TACR3ROCK2ROCK1JAK2
SCHEMBL2866722 0.80 GSK3B (0.41) POLBJAK2JAK3
SCHEMBL2862928 0.80 PIP5K1C (0.46) POLBJAK2JAK3KDM4EMEN1
SCHEMBL4334565 0.80 LMNA (0.41) MAPK1JAK2JAK3KDM4EMEN1

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 MAPK1 1/4885TACR3 1537/4885SIRT6 2555/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK1 1/4885TACR3 1537/4885SIRT6 2555/4885

“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.