SCHEMBL4093940

SCHEMBL4093940

CC(C)Cc1nnc(-c2ccc3[nH]nc(-c4ccc5cc(OCCCN6C(C)CCCC6C)ccc5c4)c3c2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
CLK2 P49760 4/20 0.39
DYRK1A Q13627 4/20 0.39
GAK O14976 1/20 0.39
DYRK3 O43781 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
NQO2 P16083 1/20 0.39
CSNK2A2 P19784 1/20 0.39
FECH P22830 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39

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
SCHEMBL4093932 1.00 HRH3 (0.40) HRH3HRH2HRH1CLK2DYRK1A
SCHEMBL4083145 0.98 HRH3 (0.39) HRH3HRH2HRH1CLK2DYRK1A
SCHEMBL4083154 0.98 HRH3 (0.39) HRH3HRH2HRH1CLK2DYRK1A
SCHEMBL4169078 0.95 CLK2 (0.41) HRH3HRH2HRH1CLK2DYRK1A
SCHEMBL4085221 0.95 CLK2 (0.41) HRH3HRH2HRH1CLK2DYRK1A
SCHEMBL4094341 0.88 HRH3 (0.39) HRH3HRH2HRH1CLK2DYRK1A
SCHEMBL4094347 0.88 HRH3 (0.39) HRH3HRH2HRH1CLK2DYRK1A
SCHEMBL4084164 0.84 CLK2 (0.42) HRH3HRH2HRH1CLK2DYRK1A
SCHEMBL13812022 0.81 CSNK1D (0.41) HRH3CLK2DYRK1AGAKDYRK3
SCHEMBL4179138 0.81 CLK2 (0.43) HRH3CLK2DYRK1AGAKDYRK3

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.