SCHEMBL19782801

SCHEMBL19782801

COc1cc(-c2cc(-c3ccccc3Cl)nc(=O)[nH]2)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 2/20 0.69
PIM1 P11309 2/20 0.61
FYN P06241 1/20 0.50
CDC7 O00311 2/20 0.49
CSNK2A2 P19784 1/20 0.49
CLK1 P49759 1/20 0.49
GSK3B P49841 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
RIPK1 Q13546 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PDGFRB P09619 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
CHEK1 O14757 1/20 0.46
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
ALOX15 P16050 2/20 0.44

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
SCHEMBL19782361 0.90 CXCL12 (0.66) CXCL12PIM1FYNCDC7CSNK2A2
SCHEMBL22065122 0.86 CXCL12 (0.65) CXCL12PIM1FYNCDC7CSNK2A2
SCHEMBL19782359 0.85 CXCL12 (0.72) CXCL12PIM1CDC7CSNK2A2CLK1
SCHEMBL19782686 0.84 CXCL12 (0.91) CXCL12PIM1FYNCDC7CSNK2A2
SCHEMBL384871 0.82 CXCL12 (0.80) CXCL12PIM1CDC7CSNK2A2CLK1
SCHEMBL29838763 0.81 CXCL12 (1.00) CXCL12PIM1FYNCDC7CSNK2A2
SCHEMBL19782903 0.81 CXCL12 (1.00) CXCL12PIM1FYNCDC7CSNK2A2
SCHEMBL19782360 0.81 CXCL12 (0.74) CXCL12PIM1FYNCDC7CSNK2A2
SCHEMBL19783006 0.81 CXCL12 (0.73) CXCL12PIM1FYNCDC7CSNK2A2
SCHEMBL19782802 0.81 CXCL12 (0.64) CXCL12PIM1FYNCDC7CSNK2A2

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 18/4885PIM1 4187/4885FYN 830/4885
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CCL5, CXCR3, CXCL10 CXCL12 18/4885PIM1 4187/4885FYN 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.