SCHEMBL20334658

SCHEMBL20334658

N#Cc1[nH]cc(-c2ccc(OP)cc2)c1C#N

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PRKAB2 O43741 2/20 0.32
PRKAG1 P54619 2/20 0.32
PRKAA2 P54646 2/20 0.32
PRKAA1 Q13131 2/20 0.32
PRKAG3 Q9UGI9 2/20 0.32
PRKAG2 Q9UGJ0 2/20 0.32
PRKAB1 Q9Y478 2/20 0.32
RXFP1 Q9HBX9 2/20 0.31
GRM5 P41594 1/20 0.31
PIM1 P11309 2/20 0.31

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
SCHEMBL18269174 0.83 ADORA1 (0.35) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL1670782 0.67 ADORA1 (0.44) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL22283897 0.67 ADORA1 (0.51) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL2618362 0.65 MEN1 (0.44) ALDH1A1MAPTNPSR1HPGDMEN1
SCHEMBL20334862 0.65 ADORA1 (0.45) MEN1KMT2AGAA
SCHEMBL7026138 0.64 AS3MT (0.54) MAPTGAASMN1; SMN2PIM1SQOR
SCHEMBL21608938 0.64 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL1185412 0.64 ALDH1A1 (0.51) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL20334657 0.63 LCK (0.35) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL8937568 0.62 KDM4E (0.49) ALDH1A1MAPTKDM4ENPSR1HPGD

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-20180179210-A1 Inhibitors of the TEC Kinase Enzyme Family PHARMASCIENCE INC. (CA) 2018-06-28 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-20180179210-A1 Inhibitors of the TEC Kinase Enzyme Family TEC, BTK, LCK ALDH1A1 4032/4885MAPT 513/4885KDM4E 1938/4885

“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.