SCHEMBL4083901

SCHEMBL4083901

CC1CCCCC1CCOc1ccc2cc(-c3nn(C4CCCCO4)c4ccc(C#N)cc34)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 2/20 0.36
HRH3 Q9Y5N1 4/20 0.34
HRH2 P25021 3/20 0.34
HRH1 P35367 3/20 0.34
DNMT3A Q9Y6K1 1/20 0.34
ATR Q13535 1/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
SRC P12931 2/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL4082983 0.90 SLC6A2 (0.38) CMKLR1DNMT3AATRSLC6A2SLC6A4
SCHEMBL4083905 0.88 HRH3 (0.44) CMKLR1HRH3HRH2HRH1ATR
SCHEMBL4089935 0.88 CMKLR1 (0.40) CMKLR1HRH3HRH2HRH1DNMT3A
SCHEMBL4079425 0.87 HRH3 (0.47) CMKLR1HRH3HRH2HRH1ATR
SCHEMBL4085020 0.86 HRH3 (0.52) HRH3HRH2HRH1SLC6A2SLC6A4
SCHEMBL4085021 0.86 HRH3 (0.52) HRH3HRH2HRH1SLC6A2SLC6A4
SCHEMBL4091084 0.86 TBK1 (0.41) HRH3HRH2HRH1
SCHEMBL4079707 0.86 HRH3 (0.49) HRH3HRH2HRH1HTR3A
SCHEMBL4095624 0.86 HRH3 (0.45) CMKLR1HRH3HRH2HRH1ATR
SCHEMBL4095621 0.86 HRH3 (0.45) CMKLR1HRH3HRH2HRH1ATR

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 CMKLR1 1073/4885HRH3 2504/4885HRH2 3624/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 CMKLR1 1136/4885HRH3 2769/4885HRH2 3827/4885

“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.