SCHEMBL13811898

SCHEMBL13811898

CN1CCC[C@H]1COc1ccc2cc(-c3n[nH]c4ccc(-c5n[nH]c(CC(C)(C)C)n5)cc34)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.45
CHRNB4 P30926 11/20 0.45
CHRNA3 P32297 11/20 0.45
CHRNB1 P11230 9/20 0.45
CHRNB3 Q05901 9/20 0.45
CSNK1D P48730 1/20 0.45
CHRNA4 P43681 2/20 0.41

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
SCHEMBL13812023 0.90 CSNK1D (0.57) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4089393 0.90 CSNK1D (0.42) CSNK1D
SCHEMBL13877025 0.89 CHRNB4 (0.47) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL13812058 0.89 CHRNB4 (0.45) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4090014 0.86 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4093565 0.85 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4258020 0.85 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4314649 0.85 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL4079733 0.82 CSNK1D (0.43) CSNK1D
SCHEMBL13812054 0.82 CSNK1D (0.43) CSNK1D

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 3 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

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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 CHRNB2 3046/4885CHRNB4 3071/4885CHRNA3 1612/4885

“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.