SCHEMBL4852963

SCHEMBL4852963

CSc1ccc(C(=N)Nc2ccc(Br)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
MAPT P10636 2/20 0.40
PLK1 P53350 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL14193769 0.85 NPC1 (0.47) IDO1ALDH1A1LMNANOX1MAPT
SCHEMBL4853065 0.85 NPC1 (0.47) IDO1ALDH1A1LMNANOX1MAPT
SCHEMBL4854757 0.83 ALDH1A1 (0.46) IDO1ALDH1A1LMNANOX1MAPT
SCHEMBL4856115 0.83 MEN1 (0.49) IDO1ALDH1A1LMNANOX1MAPT
SCHEMBL4857030 0.83 ALDH1A1 (0.46) IDO1ALDH1A1LMNANOX1MAPT
SCHEMBL4864119 0.83 MEN1 (0.49) IDO1ALDH1A1LMNANOX1MAPT
SCHEMBL4857004 0.83 MAPT (0.49) IDO1ALDH1A1LMNANOX1MAPT
SCHEMBL4861618 0.82 KDM4E (0.43) IDO1ALDH1A1LMNANOX1MAPT
SCHEMBL4854656 0.81 TNF (0.44) IDO1ALDH1A1LMNAMAPTMEN1
SCHEMBL4860006 0.81 NR1H4 (0.50) IDO1MAPTPLK1MEN1KMT2A

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-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 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-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP IDO1 312/4885ALDH1A1 272/4885LMNA 4005/4885

“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.