SCHEMBL4853065

SCHEMBL4853065

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 4/20 0.45
ALOX12 P18054 1/20 0.45
IDO1 P14902 1/20 0.45
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
GBA1 P04062 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLK1 P53350 1/20 0.41

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 1.00 NPC1 (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL21424948 0.87 NPC1 (0.57) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4852963 0.85 IDO1 (0.44) MAPTMEN1KMT2AALDH1A1IDO1
SCHEMBL4857030 0.85 ALDH1A1 (0.46) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4856115 0.85 MEN1 (0.49) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4854757 0.85 ALDH1A1 (0.46) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4864119 0.85 MEN1 (0.49) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4857004 0.84 MAPT (0.49) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4861618 0.83 KDM4E (0.43) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4854656 0.82 TNF (0.44) NPC1RAB9AMAPTMEN1KMT2A

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 7 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
EP-1492774-A2 PYRIMIDONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATION AND IMMUNOLOGICAL DISEASES Orchid Chemicals and Pharmaceuticals Ltd (IN) 2005-01-05 EP disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 US disclosed
US-20030225075-A1 Novel pyrimidone derivatives ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-12-04 US disclosed
WO-2003084938-A2 PYRIMIDONE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATIN AND IMMUNOLOGICAL DISEASES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2003-10-16 WO 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 (2 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-20030225075-A1 Novel pyrimidone derivatives TPMT, TYMP, TYMS NPC1 1999/4885RAB9A 2782/4885MAPT 26/4885
US-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP NPC1 1563/4885RAB9A 2079/4885MAPT 28/4885

“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.