SCHEMBL4853449

SCHEMBL4853449

CSc1ccc(NC(=N)c2ccccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.51
RAB9A P51151 13/20 0.51
SMN1; SMN2 Q16637 9/20 0.51
GRM4 Q14833 2/20 0.51
MAPT P10636 6/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PKM P14618 3/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
KMT2A Q03164 3/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MITF O75030 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 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
SCHEMBL22209135 0.83 NPC1 (0.72) NPC1RAB9ASMN1; SMN2GRM4MAPT
SCHEMBL4862360 0.83 KDR (0.56) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL14223875 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2GRM4MAPT
SCHEMBL25393684 0.80 KDR (0.59) NPC1RAB9ASMN1; SMN2GRM4MAPT
SCHEMBL14223457 0.80 NPC1 (0.47) NPC1RAB9ASMN1; SMN2GRM4MAPT
SCHEMBL4854729 0.80 KMT2A (0.51) NPC1RAB9ASMN1; SMN2GRM4MAPT
SCHEMBL4860965 0.79 RAB9A (0.52) NPC1RAB9ASMN1; SMN2GRM4MAPT
SCHEMBL4855888 0.79 RAB9A (0.71) NPC1RAB9ASMN1; SMN2GRM4MAPT
SCHEMBL25394146 0.78 RAB9A (0.46) NPC1RAB9ASMN1; SMN2GRM4MAPT
SCHEMBL5594529 0.78 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MAPTRXFP1

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 NPC1 1563/4885RAB9A 2079/4885SMN1; SMN2 2461/4885

“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.