SCHEMBL2947465

SCHEMBL2947465

COc1ccc(-n2c(-c3cccnc3)nc(SC)c(C#N)c2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.59
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 5/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.46
NPSR1 Q6W5P4 5/20 0.45
RXFP1 Q9HBX9 4/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
PTGS2 P35354 1/20 0.41
RAB9A P51151 1/20 0.41
HIF1A Q16665 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
SCHEMBL4860033 0.89 G6PD (0.44) G6PDMEN1KMT2AMAPK1KDM4E
SCHEMBL4857002 0.88 SQOR (0.45) G6PDMEN1KMT2AMAPK1KDM4E
SCHEMBL4863240 0.86 MAPT (0.50) G6PDMEN1KMT2AMAPK1KDM4E
SCHEMBL2953222 0.86 MAPT (0.50) G6PDMEN1KMT2AMAPK1KDM4E
SCHEMBL14223776 0.85 G6PD (0.58) G6PDMEN1KMT2AMAPK1KDM4E
SCHEMBL4637042 0.84 G6PD (0.57) G6PDMEN1KMT2AMAPK1KDM4E
SCHEMBL4862257 0.83 ALDH1A1 (0.49) G6PDMEN1KMT2AKDM4EMAPT
SCHEMBL5818146 0.81 G6PD (0.56) G6PDMEN1KMT2AMAPK1KDM4E
SCHEMBL4854645 0.81 MEN1 (0.49) G6PDMEN1KMT2AKDM4EMAPT
SCHEMBL5818138 0.79 G6PD (0.56) G6PDMEN1KMT2AMAPK1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 US claimed
US-7759350-B2 Pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-20 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-20070072876-A1 Novel pyrimidine carboxamides ORCHID RESEARCH LABORATORIES LTD. (IN) 2007-03-29 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 (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-20070072876-A1 Novel pyrimidine carboxamides UACA, SI, MYLK2 G6PD 795/4885MEN1 1887/4885KMT2A 4280/4885
US-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP G6PD 36/4885MEN1 917/4885KMT2A 4298/4885

“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.