SCHEMBL16865853

SCHEMBL16865853

CNc1ccc(C(=O)CBr)cn1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 10/20 0.64
NNMT P40261 1/20 0.62
GSK3B P49841 5/20 0.47
PTPN1 P18031 3/20 0.44
HCAR2 Q8TDS4 2/20 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
SCHEMBL31661280 1.00 HCAR3 (0.64) HCAR3NNMTGSK3BPTPN1HCAR2
Bromide SCHEMBL16753536 0.98 HCAR3 (0.62) HCAR3NNMTGSK3BPTPN1HCAR2
SCHEMBL31661260 0.83 HCAR3 (0.69) HCAR3NNMTGSK3BPTPN1HCAR2
SCHEMBL1203341 0.83 PTK2 (0.54) HCAR3NNMTGSK3BPTPN1
SCHEMBL24285432 0.83 HCAR3 (0.64) HCAR3NNMTHCAR2
SCHEMBL6074331 0.81 HDAC3 (0.47) HCAR3NNMTGSK3BPTPN1HCAR2
SCHEMBL30320778 0.81 GSK3B (0.46) HCAR3NNMTGSK3BPTPN1
SCHEMBL25702957 0.81 GSK3B (0.46) HCAR3NNMTGSK3BPTPN1
SCHEMBL9772954 0.80 ALDH1A1 (0.51) HCAR3GSK3BHCAR2
SCHEMBL10084182 0.79 HCAR3 (0.41) HCAR3NNMTGSK3BPTPN1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2870156-B1 PYRIMIDINONE DERIVATIVES AS ANTIMALARIAL AGENTS SANOFI SA (FR) 2020-06-17 EP disclosed
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 HCAR3 4490/4885NNMT 28/4885GSK3B 4087/4885

“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.