SCHEMBL4854779

SCHEMBL4854779

N=C(Nc1ccc(F)cc1)c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.48
LTA4H P09960 1/20 0.48
NAMPT P43490 1/20 0.44
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PSMD14 O00487 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL14223760 0.83 GAA (0.50) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL4861779 0.81 CA1 (0.53) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL14223877 0.81 GAA (0.48) KMT2AMEN1TAAR1ALDH1A1KDM4E
SCHEMBL4862357 0.81 NPC1 (0.61) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL4856199 0.80 CYP11B1 (0.51) KMT2AMEN1KDM4ENAMPTSMN1; SMN2
SCHEMBL4858623 0.79 NPC1 (0.50) KMT2AALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL29496075 0.78 GAA (0.81) KMT2AMEN1TAAR1KDM4EGAA
SCHEMBL14223698 0.78 PTPN1 (0.44) KMT2AMEN1ALDH1A1GAAHTT
SCHEMBL14223446 0.78 PTPN1 (0.44) KMT2AMEN1ALDH1A1GAAHTT
SCHEMBL4860027 0.77 GAA (0.44) KMT2AMEN1ALDH1A1GAASMN1; SMN2

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-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-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 KMT2A 4298/4885MEN1 917/4885TAAR1 1431/4885

“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.