SCHEMBL16865850

SCHEMBL16865850

CN(C)c1ccc(C(=O)CBr)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.47
HCAR3 P49019 2/20 0.46
PTPN1 P18031 6/20 0.44
HPGDS O60760 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
HPGD P15428 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL28111819 0.84 HCAR3 (0.51) HCAR3HPGDSKDM4EALDH1A1ALOX15
SCHEMBL18397134 0.83 GBA1 (0.53) GSK3BHCAR3PTPN1ALDH1A1
Hydrochloric Acid SCHEMBL9670823 0.81 HCAR3 (0.45) HCAR3HPGDSKDM4EALDH1A1ALOX15
SCHEMBL28865950 0.81 HCAR3 (0.49) HCAR3HPGDSKDM4EALDH1A1ALOX15
SCHEMBL12734188 0.80 HCAR3 (0.49) HCAR3HPGDSKDM4EALDH1A1ALOX15
SCHEMBL185127 0.78 HCAR3 (0.65) HCAR3KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL18397143 0.77 GSK3B (0.48) GSK3BHCAR3PTPN1
SCHEMBL976946 0.77 NNMT (0.55) HCAR3HPGDSKDM4EALDH1A1ALOX15
SCHEMBL1778519 0.77 HCAR3 (0.46) HCAR3HPGDSKDM4EALDH1A1ALOX15
SCHEMBL641907 0.77 GSK3B (0.57) GSK3BPTPN1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321790-B2 Pyrimidinone derivatives as antimalarial agents SANOFI (FR) 2016-04-26 US disclosed
US-9321790-B2 Pyrimidinone derivatives as antimalarial agents SANOFI (FR) 2016-04-26 US disclosed
US-20150183804-A1 Pyrimidinone Derivatives as Antimalarial Agents SANOFI (FR) 2015-07-02 US disclosed
US-20150183804-A1 Pyrimidinone Derivatives as Antimalarial Agents SANOFI (FR) 2015-07-02 US 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 (1 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-20150183804-A1 Pyrimidinone Derivatives as Antimalarial Agents DHFR, PRMT1, PRMT7 GSK3B 4087/4885HCAR3 4490/4885PTPN1 2798/4885

“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.