SCHEMBL19782913

SCHEMBL19782913

COc1cc(-c2cc(-c3ccc(Cl)cc3)nc(O)n2)ccc1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 3/20 0.82
FYN P06241 1/20 0.55
GAA P10253 5/20 0.52
RECQL P46063 1/20 0.52
GFER P55789 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
MAOA P21397 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 3/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 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
SCHEMBL7816115 0.81 CXCL12 (0.65) CXCL12FYNMAOAPOLBACHE
SCHEMBL19782903 0.78 CXCL12 (1.00) CXCL12FYNGAARECQLGFER
SCHEMBL29838763 0.78 CXCL12 (1.00) CXCL12FYNGAARECQLGFER
SCHEMBL19782686 0.78 CXCL12 (0.91) CXCL12FYNMEN1KMT2AMAOA
SCHEMBL31139656 0.78 ADORA2A (0.83) CXCL12GAAGFERMEN1KMT2A
SCHEMBL3058335 0.75 CXCL12 (0.75) CXCL12FYNGAARECQLGFER
SCHEMBL1679077 0.73 FYN (0.70) CXCL12FYNGAARECQLGFER
SCHEMBL28313345 0.73 CXCL12 (0.57) CXCL12MEN1KMT2AL3MBTL1POLB
SCHEMBL363972 0.73 MAOB (0.61) CXCL12MEN1KMT2AALDH1A1HSD17B10
SCHEMBL3693339 0.73 MAOB (0.67) CXCL12FYNGAARECQLGFER

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 18/4885FYN 830/4885GAA 2592/4885
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CCL5, CXCR3, CXCL10 CXCL12 18/4885FYN 830/4885GAA 2592/4885

“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.