SCHEMBL4854729

SCHEMBL4854729

N=C(Nc1ccc(F)cc1)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 2/20 0.51
ALOX12 P18054 1/20 0.51
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
CCR6 P51684 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 2/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
CES1 P23141 1/20 0.45
GRM4 Q14833 5/20 0.44
PKM P14618 1/20 0.44
SNCA P37840 2/20 0.44
AGTR1 P30556 1/20 0.43
KDM4E B2RXH2 1/20 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
SCHEMBL14223875 0.85 NPC1 (0.49) KMT2AMEN1GAAHPGDNPC1
SCHEMBL4862360 0.83 KDR (0.56) KMT2AMEN1GAAHPGDNPC1
SCHEMBL14223457 0.83 NPC1 (0.47) KMT2AMEN1GAAHPGDNPC1
SCHEMBL25393684 0.83 KDR (0.59) NPC1RAB9ASMN1; SMN2MAPTCES1
SCHEMBL25394146 0.82 RAB9A (0.46) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL10415452 0.81 GRM4 (0.65) KMT2AMEN1GAANPC1RAB9A
SCHEMBL30686047 0.81 GRM4 (0.65) KMT2AMEN1GAANPC1RAB9A
SCHEMBL10414905 0.80 KMT2A (0.75) KMT2AMEN1GAAHPGDALOX12
SCHEMBL25394439 0.80 KCNK3 (0.58) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL4860965 0.80 RAB9A (0.52) KMT2AMEN1GAAHPGDNPC1

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 917/4885GAA 2264/4885

“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.