SCHEMBL19782839

SCHEMBL19782839

COc1cc(-c2cc(-c3cccs3)nc(=O)[nH]2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 1/20 0.62
SMPD3 Q9NY59 4/20 0.54
FYN P06241 1/20 0.48
RIPK1 Q13546 1/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 3/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PPARG P37231 2/20 0.47
NCOA2 Q15596 2/20 0.47
NCOA1 Q15788 2/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
CDC7 O00311 1/20 0.46
PIM1 P11309 1/20 0.46

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
SCHEMBL22066252 0.94 CXCL12 (0.63) CXCL12SMPD3FYNRIPK1KDM4E
SCHEMBL19782836 0.83 CXCL12 (0.69) CXCL12SMPD3FYNRIPK1KDM4E
SCHEMBL19782359 0.82 CXCL12 (0.72) CXCL12RIPK1KDM4EALDH1A1HPGD
SCHEMBL19782907 0.82 CXCL12 (0.69) CXCL12FYNRIPK1KDM4EALDH1A1
SCHEMBL19782367 0.82 CXCL12 (0.62) CXCL12SMPD3FYNRIPK1KDM4E
SCHEMBL19782832 0.81 CXCL12 (0.71) CXCL12FYNRIPK1KDM4EALDH1A1
SCHEMBL19782360 0.81 CXCL12 (0.74) CXCL12FYNRIPK1KDM4EALDH1A1
SCHEMBL19782917 0.81 CXCL12 (0.67) CXCL12RIPK1KDM4EALDH1A1MAPT
SCHEMBL14819133 0.81 SMPD3 (0.57) SMPD3FYNKDM4EALDH1A1MAPT
SCHEMBL19782361 0.81 CXCL12 (0.66) CXCL12FYNRIPK1KDM4EALDH1A1

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 18/4885SMPD3 2922/4885FYN 830/4885
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CCL5, CXCR3, CXCL10 CXCL12 18/4885SMPD3 2922/4885FYN 830/4885

“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.