SCHEMBL4089935

SCHEMBL4089935

CC(C)CCOc1ccc2cc(-c3nn(C4CCCCO4)c4ccc(C#N)cc34)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMKLR1 Q99788 2/20 0.40
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
SLC6A3 Q01959 2/20 0.35
SIGMAR1 Q99720 4/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
HTR3A P46098 1/20 0.34
KCNH2 Q12809 1/20 0.34
DNMT3A Q9Y6K1 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ATR Q13535 1/20 0.33
RET P07949 1/20 0.33
ABL1 P00519 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
SCARB1 Q8WTV0 1/20 0.33

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) CMKLR1SLC6A2SLC6A4SLC6A3RXRA
SCHEMBL4083901 0.88 CMKLR1 (0.36) CMKLR1SLC6A2SLC6A4PTGDR2SLC6A3
SCHEMBL4083905 0.88 HRH3 (0.44) CMKLR1SLC6A2SLC6A4SLC6A3HRH2
SCHEMBL4091084 0.87 TBK1 (0.41) HRH2HRH1HRH3
SCHEMBL4079425 0.87 HRH3 (0.47) CMKLR1HRH2HRH1HRH3ATR
SCHEMBL4094652 0.87 RAB9A (0.37) CMKLR1RXRARXRBRXRGATR
SCHEMBL4083874 0.87 SCN7A (0.42) KCNH2HRH2HRH1HRH3
SCHEMBL4085021 0.86 HRH3 (0.52) SLC6A2SLC6A4SLC6A3HRH2HRH1
SCHEMBL4085020 0.86 HRH3 (0.52) SLC6A2SLC6A4SLC6A3HRH2HRH1
SCHEMBL4085342 0.86 TBK1 (0.40) HRH2HRH1HRH3

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 CMKLR1 1073/4885SLC6A2 4227/4885SLC6A4 2787/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 CMKLR1 1136/4885SLC6A2 4266/4885SLC6A4 2832/4885

“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.