SCHEMBL19782367

SCHEMBL19782367

COc1cc(-c2cc(-c3nccs3)nc(=O)[nH]2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 1/20 0.62
RIPK1 Q13546 1/20 0.51
SMPD3 Q9NY59 2/20 0.48
GAA P10253 2/20 0.44
RECQL P46063 1/20 0.44
GFER P55789 1/20 0.44
CDC7 O00311 4/20 0.44
PIM1 P11309 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CLK1 P49759 1/20 0.44
GSK3B P49841 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CSNK2A3 Q8NEV1 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CTSA P10619 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 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
SCHEMBL22065120 0.95 CXCL12 (0.62) CXCL12RIPK1SMPD3GAARECQL
SCHEMBL19782839 0.82 CXCL12 (0.62) CXCL12RIPK1SMPD3GAARECQL
SCHEMBL19782909 0.82 CXCL12 (0.65) CXCL12RIPK1GAARECQLGFER
SCHEMBL19782832 0.81 CXCL12 (0.71) CXCL12RIPK1GAARECQLGFER
SCHEMBL22065538 0.81 CXCL12 (0.64) CXCL12RIPK1GAARECQLGFER
SCHEMBL19782360 0.81 CXCL12 (0.74) CXCL12RIPK1GAARECQLGFER
SCHEMBL19782917 0.81 CXCL12 (0.67) CXCL12RIPK1GAARECQLGFER
SCHEMBL22065542 0.81 CXCL12 (0.69) CXCL12RIPK1GAARECQLGFER
SCHEMBL22066252 0.81 CXCL12 (0.63) CXCL12RIPK1SMPD3GAARECQL
SCHEMBL19782359 0.80 CXCL12 (0.72) CXCL12RIPK1CDC7PIM1CSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-06-29 US disclosed
US-20200181093-A1 Pyrimidinone Derivatives and Uses Thereof to Neutralize the Biological Activity of Chemokines CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 2020-06-11 US disclosed
WO-2018011376-A1 PYRIMIDINONE DERIVATIVES AND USES THEREOF TO NEUTRALIZE THE BIOLOGICAL ACTIVITY OF CHEMOKINES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2018-01-18 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 (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-20200181093-A1 Pyrimidinone Derivatives and Uses Thereof to Neutralize the Biological Activity of Chemokines CCL5, CXCR3, CXCL10 CXCL12 18/4885RIPK1 3602/4885SMPD3 2922/4885
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CCL5, CXCR3, CXCL10 CXCL12 18/4885RIPK1 3602/4885SMPD3 2922/4885

“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.