SCHEMBL19782359

SCHEMBL19782359

COc1cc(-c2cc(-c3ccccc3)nc(=O)[nH]2)ccc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 2/20 0.72
KDM4E B2RXH2 2/20 0.67
CDC7 O00311 4/20 0.64
PIM1 P11309 3/20 0.64
GSK3B P49841 2/20 0.64
CSNK2A1 P68400 2/20 0.64
CSNK2A2 P19784 1/20 0.64
CLK1 P49759 1/20 0.64
CSNK2B P67870 1/20 0.64
CSNK2A3 Q8NEV1 1/20 0.64
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
HSD17B10 Q99714 1/20 0.61
CYP1A1 P04798 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP1B1 Q16678 1/20 0.54
NOX1 Q9Y5S8 2/20 0.53
RIPK1 Q13546 1/20 0.53
POLB P06746 1/20 0.49
IDO1 P14902 1/20 0.48

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
SCHEMBL384871 0.95 CXCL12 (0.80) CXCL12KDM4ECDC7PIM1GSK3B
SCHEMBL19782360 0.91 CXCL12 (0.74) CXCL12KDM4ECDC7PIM1GSK3B
SCHEMBL19782680 0.90 CXCL12 (0.72) CXCL12KDM4ECDC7PIM1GSK3B
SCHEMBL19782920 0.90 CXCL12 (0.72) CXCL12KDM4ECDC7PIM1GSK3B
SCHEMBL19782824 0.89 CXCL12 (0.68) CXCL12KDM4ECDC7PIM1GSK3B
SCHEMBL19782800 0.89 CXCL12 (0.71) CXCL12KDM4ECDC7PIM1GSK3B
SCHEMBL19782686 0.89 CXCL12 (0.91) CXCL12KDM4ECDC7PIM1GSK3B
SCHEMBL19782808 0.89 CXCL12 (0.71) CXCL12KDM4ECDC7PIM1GSK3B
SCHEMBL19782832 0.89 CXCL12 (0.71) CXCL12KDM4ECDC7PIM1GSK3B
SCHEMBL19782905 0.88 CXCL12 (0.67) CXCL12KDM4ECDC7PIM1GSK3B

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 18/4885KDM4E 4286/4885CDC7 2413/4885
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CCL5, CXCR3, CXCL10 CXCL12 18/4885KDM4E 4286/4885CDC7 2413/4885

“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.