SCHEMBL21579413

SCHEMBL21579413

COc1ccc(Cn2ncc3cncc(C#N)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 0.44
PDE8B O95263 1/20 0.43
MCHR1 Q99705 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
PKM P14618 1/20 0.40
PKLR P30613 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
UCHL1 P09936 1/20 0.38
CYP19A1 P11511 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAOB P27338 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL30469042 0.82 NPBWR1 (0.54) NPBWR1MCHR1PKMPKLR
SCHEMBL20176889 0.81 NPBWR1 (0.47) NPBWR1MCHR1PKMPKLRCYP11B1
SCHEMBL3356641 0.78 NPBWR1 (0.49) NPBWR1PDE8BMCHR1PKMPKLR
SCHEMBL30515984 0.77 PDE8B (0.46) NPBWR1PDE8BMCHR1FNTAFNTB
SCHEMBL29063941 0.77 PDE8B (0.46) NPBWR1PDE8BMCHR1FNTAFNTB
SCHEMBL30051137 0.77 NPBWR1 (0.46) NPBWR1MCHR1UCHL1KDM4E
SCHEMBL16014455 0.76 KMT2A (0.54) NPBWR1PDE8BMCHR1PKMKDM4E
SCHEMBL30050968 0.76 NPBWR1 (0.43) NPBWR1PDE8BMCHR1PKMPKLR
SCHEMBL29023088 0.76 NPBWR1 (0.43) NPBWR1PDE8BMCHR1PKMPKLR
SCHEMBL30408409 0.76 NPBWR1 (0.46) NPBWR1MCHR1CYP11B1CYP11B2UCHL1

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 1 patent. 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

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 396/4885PDE8B 2144/4885MCHR1 995/4885

“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.