SCHEMBL4171533

SCHEMBL4171533

CN1CCC[C@H]1COc1ccc2cc(-c3n[nH]c4ccc(C(N)=O)cc34)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.50
MAPK8 P45983 1/20 0.50
CHRNB2 P17787 4/20 0.47
CHRNB4 P30926 4/20 0.47
CHRNA3 P32297 4/20 0.47
CHRNB1 P11230 3/20 0.47
CHRNB3 Q05901 3/20 0.47
IRAK4 Q9NWZ3 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
MAPK1 P28482 1/20 0.43
MAP2K4 P45985 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
MAPKAPK3 Q16644 1/20 0.43
MAPK6 Q16659 1/20 0.43
MAPKAPK5 Q8IW41 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHEK2 O96017 1/20 0.43

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
SCHEMBL4171537 1.00 TTK (0.50) TTKMAPK8CHRNB2CHRNB4CHRNA3
SCHEMBL4083912 0.92 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4083908 0.92 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4093942 0.86 CHRNB4 (0.46) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
Hydrochloric Acid SCHEMBL4266574 0.86 CHRNB4 (0.45) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL13812074 0.86 MAPK1 (0.44) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4090271 0.82 TTK (0.41) TTKMAPK8MAPK1MAP2K4MAPKAPK3
SCHEMBL4090306 0.82 TTK (0.41) TTKMAPK8MAPK1MAP2K4MAPKAPK3
SCHEMBL13877025 0.82 CHRNB4 (0.47) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4083890 0.80 TTK (0.74) TTKMAPK8MAPK1MAP2K4MAPKAPK2

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
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 WO 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 TTK 401/4885MAPK8 213/4885CHRNB2 3046/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 TTK 377/4885MAPK8 201/4885CHRNB2 3229/4885

“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.