SCHEMBL20177016

SCHEMBL20177016

COc1ccc(Cn2ncc3cc(C(=O)O)c(C)nc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 7/20 0.44
MCHR1 Q99705 1/20 0.44
PDE1A P54750 3/20 0.43
PDE1B Q01064 3/20 0.43
PDE1C Q14123 3/20 0.43
UCHL1 P09936 1/20 0.43
RAF1 P04049 1/20 0.42

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
SCHEMBL20177018 0.88 ALDH1A1 (0.55) PDE1APDE1BPDE1CUCHL1
SCHEMBL4789449 0.80 PDE1B (0.46) NPBWR1MCHR1PDE1BUCHL1
SCHEMBL21796811 0.78 NPBWR1 (0.46) NPBWR1MCHR1PDE1APDE1BPDE1C
SCHEMBL20177021 0.77 PTGDR2 (0.43) NPBWR1MCHR1PDE1APDE1BPDE1C
SCHEMBL14809708 0.76 NPBWR1 (0.51) NPBWR1MCHR1UCHL1
SCHEMBL20746001 0.76 NPBWR1 (0.51) NPBWR1MCHR1UCHL1
SCHEMBL30051137 0.76 NPBWR1 (0.46) NPBWR1MCHR1UCHL1
SCHEMBL21384201 0.76 NPBWR1 (0.45) NPBWR1MCHR1PDE1APDE1BPDE1C
SCHEMBL29049972 0.75 PTPN1 (0.60) NPBWR1MCHR1UCHL1
SCHEMBL21796474 0.75 NPBWR1 (0.44) NPBWR1MCHR1PDE1APDE1BPDE1C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 US disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 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 (1 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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 NPBWR1 396/4885MCHR1 995/4885PDE1A 2289/4885

“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.