SCHEMBL4085342

SCHEMBL4085342

N#Cc1ccc2c(c1)c(-c1ccc3ccc(OCCN4CCCC4)cc3c1)nn2C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.40
HRH3 Q9Y5N1 6/20 0.40
SCN7A Q01118 3/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
ESR1 P03372 4/20 0.38
ESR2 Q92731 2/20 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
SCHEMBL4091084 0.98 TBK1 (0.41) TBK1HRH3SCN7AHRH2HRH1
SCHEMBL4083874 0.98 SCN7A (0.42) TBK1HRH3SCN7AHRH2HRH1
SCHEMBL5381490 0.89 BACE1 (0.43) TBK1HRH3ESR1ESR2
SCHEMBL4079707 0.89 HRH3 (0.49) HRH3HRH2HRH1ESR1
SCHEMBL4095624 0.89 HRH3 (0.45) HRH3HRH2HRH1ESR1
SCHEMBL4095621 0.89 HRH3 (0.45) HRH3HRH2HRH1ESR1
SCHEMBL4082983 0.88 SLC6A2 (0.38)
SCHEMBL4083905 0.88 HRH3 (0.44) HRH3HRH2HRH1ESR1
SCHEMBL4084194 0.87 EGLN2 (0.42) HRH3SCN7AHRH2HRH1SCN5A
SCHEMBL4079425 0.87 HRH3 (0.47) HRH3HRH2HRH1ESR1

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 TBK1 126/4885HRH3 2504/4885SCN7A 2498/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 TBK1 148/4885HRH3 2769/4885SCN7A 2639/4885

“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.