SCHEMBL4084364

SCHEMBL4084364

CN1CCC[C@H]1COc1ccc2cc(-c3n[nH]c4ccc(-c5nc(C(C)(C)C)n[nH]5)cc34)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 12/20 0.46
CHRNA3 P32297 12/20 0.46
CHRNB2 P17787 10/20 0.46
CHRNB1 P11230 9/20 0.46
CHRNB3 Q05901 9/20 0.46
CHRNA4 P43681 1/20 0.42
GAK O14976 1/20 0.41
DYRK3 O43781 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
NQO2 P16083 1/20 0.41
CSNK2A2 P19784 1/20 0.41
FECH P22830 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 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
SCHEMBL4084368 1.00 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL4093565 0.89 CHRNB2 (0.45) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL4258020 0.89 CHRNB2 (0.45) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL4314649 0.89 CHRNB2 (0.45) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL13877025 0.86 CHRNB4 (0.47) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL4179153 0.85 CSNK1D (0.46) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL4174320 0.85 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL4093982 0.85 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL4174324 0.85 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL4179164 0.85 CSNK1D (0.46) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3

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-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 CHRNB4 3071/4885CHRNA3 1612/4885CHRNB2 3046/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 CHRNB4 3275/4885CHRNA3 1808/4885CHRNB2 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.