SCHEMBL2858985

SCHEMBL2858985

COc1cccc(-c2n[nH]c3ccc(C(=O)NCc4cccnc4)cc23)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
MAPK3 P27361 2/20 0.59
MAPK1 P28482 2/20 0.59
ROCK2 O75116 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
TTK P33981 1/20 0.57
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
PTAFR P25105 2/20 0.55
ROCK1 Q13464 2/20 0.55
CYP3A4 P08684 3/20 0.55
CYP1A2 P05177 2/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
NAMPT P43490 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
CYP2C19 P33261 1/20 0.54
AURKA O14965 1/20 0.54
CSNK1D P48730 1/20 0.54

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
SCHEMBL2866864 0.86 MAPK1 (0.74) MAPK3MAPK1TTKCSNK1D
SCHEMBL2859764 0.83 MAPK1 (0.59) GAAMAPK3MAPK1TTKALDH1A1
SCHEMBL2864841 0.82 MAPK1 (0.67) GAAMAPK3MAPK1L3MBTL1TTK
SCHEMBL12907350 0.80 MAPK1 (0.61) GAAMAPK3MAPK1ROCK2L3MBTL1
SCHEMBL5334343 0.80 MMP13 (0.79) GAAROCK2L3MBTL1USP2ALDH1A1
SCHEMBL2868742 0.80 TTK (0.57) GAAMAPK3MAPK1ROCK2TTK
SCHEMBL12907153 0.79 SMN1; SMN2 (0.67) ROCK2USP2ALDH1A1ROCK1CYP3A4
SCHEMBL12191106 0.79 GAA (0.65) GAAROCK2L3MBTL1USP2ALDH1A1
SCHEMBL2858848 0.78 ROCK2 (0.59) ROCK2ROCK1CYP3A4SMN1; SMN2AURKA
SCHEMBL8259091 0.78 MAP3K5 (0.53) MAPK3MAPK1ROCK2L3MBTL1TTK

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 15 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-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
CN-1300116-C 1H-indazole compounds EISAI CO LTD (JP) 2007-02-14 CN 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
CN-1512987-A Novel 1H-indazole compound ������������ʽ���� 2004-07-14 CN 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 GAA 4805/4885MAPK3 2/4885MAPK1 1/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 GAA 4628/4885MAPK3 3/4885MAPK1 1/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 GAA 4805/4885MAPK3 2/4885MAPK1 1/4885

“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.