SCHEMBL20176891

SCHEMBL20176891

COc1cnc(N)c2cn[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
RET P07949 1/20 0.43
PI4KA P42356 1/20 0.43
XDH P47989 1/20 0.43
LRRK2 Q5S007 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
DRD1 P21728 1/20 0.40
LCK P06239 2/20 0.38
GAA P10253 3/20 0.38
MKNK1 Q9BUB5 1/20 0.37
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
BRD4 O60885 2/20 0.36
PDE5A O76074 1/20 0.36
FYN P06241 1/20 0.35

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
SCHEMBL15667321 0.79 ALDH1A1 (0.45) KDM4EALDH1A1HPGDRETDRD1
SCHEMBL25898919 0.76 RET (0.47) KDM4EALDH1A1HPGDRETPI4KA
SCHEMBL27227905 0.75 ALDH1A1 (0.53) KDM4EALDH1A1HPGDLCKGAA
SCHEMBL1482228 0.73 RET (0.44) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL30515967 0.72 RET (0.47) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL30515856 0.72 RET (0.47) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL21579421 0.72 RET (0.47) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL21579418 0.72 RET (0.47) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL25908871 0.71 RET (0.43) RETPI4KAXDHLRRK2PI4K2B
SCHEMBL26204751 0.71 RET (0.43) ALDH1A1RETPI4KAXDHLRRK2

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 KDM4E 2267/4885ALDH1A1 3977/4885HPGD 4411/4885

“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.