SCHEMBL4084417

SCHEMBL4084417

CCOC(=N)c1ccc2[nH]nc(-c3ccc4cc(OCCN5CCCC[C@@H]5C)ccc4c3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.45
HTR3A P46098 3/20 0.42
KCNH2 Q12809 3/20 0.42
ESR1 P03372 1/20 0.41
CYP2D6 P10635 1/20 0.40
GAK O14976 1/20 0.40
DYRK3 O43781 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
NQO2 P16083 1/20 0.40
CSNK2A2 P19784 1/20 0.40
FECH P22830 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40

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
SCHEMBL4090234 0.90 TTK (0.39) HRH3ESR1GAKDYRK3JAK2
SCHEMBL4084785 0.90 TTK (0.39) HRH3ESR1GAKDYRK3JAK2
SCHEMBL4079986 0.88 TTK (0.38) HRH3ESR1GAKDYRK3JAK2
SCHEMBL4039462 0.88 CLK2 (0.51) HRH3KCNH2ESR1GAKDYRK3
SCHEMBL4089498 0.87 HRH3 (0.41) HRH3HTR3AKCNH2MAPK8CHRM2
Hydrochloric Acid SCHEMBL4084543 0.87 TTK (0.40) HRH3GAKDYRK3JAK2PRKD3
SCHEMBL4084704 0.87 CLK2 (0.53) HRH3KCNH2ESR1GAKDYRK3
SCHEMBL4089635 0.87 CLK2 (0.53) HRH3KCNH2ESR1GAKDYRK3
Hydrochloric Acid SCHEMBL4083117 0.86 CLK2 (0.52) HRH3KCNH2ESR1GAKDYRK3
Hydrochloric Acid SCHEMBL4085321 0.86 CLK2 (0.52) HRH3KCNH2ESR1GAKDYRK3

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 2504/4885HTR3A 969/4885KCNH2 1084/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 HRH3 2769/4885HTR3A 1028/4885KCNH2 1228/4885

“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.