SCHEMBL4089498

SCHEMBL4089498

CCOC(=N)c1ccc2[nH]nc(-c3ccc4cc(OCCCN5[C@H](C)CCC[C@@H]5C)ccc4c3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.41
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
MAOB P27338 1/20 0.39
TTK P33981 2/20 0.38
MAPK8 P45983 1/20 0.38
HTR3A P46098 2/20 0.38
KCNH2 Q12809 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD4 P21917 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HRH4 Q9H3N8 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
SCHEMBL4089562 0.98 HRH3 (0.40) HRH3HRH2HRH1MAOBTTK
SCHEMBL4084785 0.96 TTK (0.39) HRH3HRH2HRH1TTKMAPK8
SCHEMBL4090234 0.96 TTK (0.39) HRH3HRH2HRH1TTKMAPK8
SCHEMBL4079986 0.94 TTK (0.38) HRH3HRH2HRH1TTKMAPK8
Hydrochloric Acid SCHEMBL4084543 0.92 TTK (0.40) HRH3TTKMAPK8
SCHEMBL4084417 0.87 HRH3 (0.45) HRH3HRH2HRH1MAPK8HTR3A
SCHEMBL4039462 0.84 CLK2 (0.51) HRH3TTKMAPK8KCNH2
SCHEMBL4083120 0.84 TTK (0.41) TTKMAPK8
SCHEMBL4084704 0.83 CLK2 (0.53) HRH3MAPK8KCNH2
SCHEMBL4089635 0.83 CLK2 (0.53) HRH3MAPK8KCNH2

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 5 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
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 HRH3 2504/4885HRH2 3624/4885HRH1 3031/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 HRH3 2769/4885HRH2 3827/4885HRH1 3325/4885

“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.