SCHEMBL25841900

SCHEMBL25841900

Cc1cc(C#N)c(Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.39
CYP11B2 P19099 2/20 0.38
CSNK1A1 P48729 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ALDH1A1 P00352 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
UHRF1 Q96T88 1/20 0.34
VCAM1 P19320 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
IDO1 P14902 1/20 0.34
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1627979 0.83 CSNK1A1 (0.41) PGK1CYP11B2CSNK1A1CLK4ALDH1A1
SCHEMBL21927208 0.80 UHRF1 (0.38) CYP11B2CSNK1A1CLK4ALDH1A1NPSR1
SCHEMBL4486546 0.78 CYP11B2 (0.40) PGK1CYP11B2CSNK1A1CLK4ALDH1A1
SCHEMBL2751008 0.78 UHRF1 (0.41) CYP11B2ALDH1A1NPSR1TDP1KDM4E
SCHEMBL10959324 0.75 TRPV4 (0.44) PGK1CYP11B2CSNK1A1CLK4ALDH1A1
SCHEMBL4311935 0.75 CYP11B2 (0.53) PGK1CYP11B2CSNK1A1CLK4ALDH1A1
SCHEMBL12055453 0.75 MBOAT4 (0.39) CYP11B2KDM4EUHRF1CYP1A2CYP2A6
SCHEMBL19565921 0.75 CYP11B2 (0.41) CYP11B2TRPV4UHRF1CYP11B1
SCHEMBL29483790 0.75 CYP11B2 (0.53) PGK1CYP11B2CSNK1A1CLK4ALDH1A1
SCHEMBL10960323 0.75 PGK1 (0.39) PGK1CYP11B2CSNK1A1CLK4ALDH1A1

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-20230338429-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF STEM CELLS AND/OR PROGENITOR CELLS UNIVERSITE DE MONTREAL (CA) 2023-10-26 US disclosed
US-11696928-B2 Compounds and use thereof in the expansion of stem cells and/or progenitor cells UNIVERSITE DE MONTREAL (CA) 2023-07-11 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-11696928-B2 Compounds and use thereof in the expansion of stem cells and/or progenitor cells MCL1, CD47, BMI1 PGK1 3158/4885CYP11B2 2395/4885CSNK1A1 3510/4885
US-20230338429-A1 COMPOUNDS AND USE THEREOF IN THE EXPANSION OF STEM CELLS AND/OR PROGENITOR CELLS MCL1, CD47, BMI1 PGK1 3158/4885CYP11B2 2395/4885CSNK1A1 3510/4885

“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.