SCHEMBL2865451

SCHEMBL2865451

COc1c(C(=O)NCC2CC2)ccc2[nH]nc(-c3cc4ccccc4s3)c12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.42
GSK3B P49841 13/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
ITK Q08881 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PIP5K1C O60331 1/20 0.37

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
SCHEMBL4343378 0.88 KMT2A (0.47)
SCHEMBL2861021 0.87 PIP5K1C (0.46) MAPK10SIRT2SIRT1JAK2JAK3
SCHEMBL13198254 0.84 DRD2 (0.40) MAPK10DRD2DRD4JAK2JAK3
SCHEMBL4334929 0.84 LMNA (0.41) MAPK10SIRT2SIRT1DRD2DRD4
SCHEMBL4332920 0.84 JAK2 (0.42) MAPK10DRD2DRD4JAK2JAK3
SCHEMBL4329228 0.84 HPGD (0.44) MAPK10JAK2JAK3
SCHEMBL4334979 0.84 MAPT (0.44) MAPK10
SCHEMBL4334972 0.83 JAK2 (0.38) MAPK10JAK2JAK3
SCHEMBL2864362 0.83 GSK3B (0.44) GSK3BDRD2DRD4
SCHEMBL2864411 0.83 MAPK10 (0.46) MAPK10GSK3BSIRT2SIRT1DRD2

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 12 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
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 MAPK10 29/4885GSK3B 991/4885SIRT2 1519/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MAPK10 27/4885GSK3B 982/4885SIRT2 2133/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPK10 29/4885GSK3B 991/4885SIRT2 1519/4885

“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.