SCHEMBL19782918

SCHEMBL19782918

COc1cc(-c2cc(-c3ccc(N4CCOCC4)cc3)nc(=O)[nH]2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 1/20 0.61
JAK2 O60674 2/20 0.54
JAK3 P52333 1/20 0.54
FYN P06241 2/20 0.52
XDH P47989 1/20 0.48
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAK O14976 1/20 0.44
IMPDH2 P12268 1/20 0.44
CDC7 O00311 3/20 0.43
GSK3B P49841 2/20 0.43
PIM1 P11309 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CLK1 P49759 1/20 0.43

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
SCHEMBL19782690 0.90 CXCL12 (0.61) CXCL12JAK2JAK3FYNKDM4E
SCHEMBL19782362 0.90 CXCL12 (0.61) CXCL12JAK2JAK3FYNKDM4E
Hydrochloric Acid SCHEMBL23549446 0.89 CXCL12 (0.60) CXCL12JAK2JAK3FYNKDM4E
Hydrochloric Acid SCHEMBL22026483 0.89 CXCL12 (0.60) CXCL12JAK2JAK3FYNKDM4E
SCHEMBL19782360 0.82 CXCL12 (0.74) CXCL12FYNKDM4EALDH1A1HPGD
SCHEMBL19782680 0.81 CXCL12 (0.72) CXCL12JAK2FYNKDM4EALDH1A1
SCHEMBL19782359 0.81 CXCL12 (0.72) CXCL12KDM4EALDH1A1HPGDHSD17B10
SCHEMBL19782920 0.81 CXCL12 (0.72) CXCL12FYNKDM4EALDH1A1HPGD
SCHEMBL19782832 0.80 CXCL12 (0.71) CXCL12FYNKDM4EALDH1A1HPGD
SCHEMBL19782800 0.80 CXCL12 (0.71) CXCL12FYNKDM4EALDH1A1HPGD

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 7 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-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
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
EP-3484864-A1 PYRIMIDINONE DERIVATIVES AND USES THEREOF TO NEUTRALIZE THE BIOLOGICAL ACTIVITY OF CHEMOKINES Centre National de la Recherche Scientifique - CNRS (FR) 2019-05-22 EP 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
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 18/4885JAK2 329/4885JAK3 684/4885
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CCL5, CXCR3, CXCL10 CXCL12 18/4885JAK2 329/4885JAK3 684/4885

“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.