SCHEMBL19782822

SCHEMBL19782822

COc1cc(/C=C/C(=O)c2ccc(N3CCNCC3)cc2)ccc1O

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.78
▸ FGFR1 P11362 1/20 0.65
▸ CXCL12 P48061 9/20 0.65
▸ ABCB1 P08183 1/20 0.64
▸ CXCR4 P61073 1/20 0.64
▸ MAOB P27338 1/20 0.61
▸ ACHE P22303 3/20 0.61

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
SCHEMBL25219790 0.89 MAPT (0.67) KDRFGFR1CXCL12CXCR4ACHE
SCHEMBL19782818 0.89 MAPT (0.67) KDRFGFR1CXCL12CXCR4ACHE
SCHEMBL12677857 0.84 CXCL12 (0.89) CXCL12CXCR4
SCHEMBL25193952 0.84 CXCL12 (0.89) CXCL12CXCR4
SCHEMBL30384490 0.84 CXCL12 (0.89) CXCL12CXCR4
SCHEMBL25280277 0.83 CXCL12 (0.66) KDRFGFR1CXCL12CXCR4ACHE
SCHEMBL25203022 0.83 CXCL12 (0.66) KDRFGFR1CXCL12CXCR4ACHE
SCHEMBL30383603 0.83 CXCL12 (0.66) KDRFGFR1CXCL12CXCR4ACHE
SCHEMBL21802480 0.81 CTSL (0.68) KDRABCB1MAOB
SCHEMBL29535965 0.81 CTSL (0.68) KDRABCB1MAOB

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 KDR 3499/4885FGFR1 2402/4885CXCL12 18/4885
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CCL5, CXCR3, CXCL10 KDR 3499/4885FGFR1 2402/4885CXCL12 18/4885

“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.

Send feedback