SCHEMBL1176355

SCHEMBL1176355

CSc1nc(O)c(C#N)c(-c2ccco2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
KMT2A Q03164 9/20 0.54
MEN1 O00255 8/20 0.54
KDM4E B2RXH2 8/20 0.54
HPGD P15428 8/20 0.54
HSD17B10 Q99714 6/20 0.54
POLB P06746 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
BLM P54132 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
MAPT P10636 2/20 0.54
ALOX15 P16050 2/20 0.54
PTPN7 P35236 2/20 0.54
RECQL P46063 2/20 0.54
GAPDH P04406 1/20 0.54
NR4A1 P22736 1/20 0.54
HTT P42858 1/20 0.54
DUSP3 P51452 1/20 0.54
MCL1 Q07820 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL30229149 0.85 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL1176202 0.84 KMT2A (0.58) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL3603258 0.75 CXCR2 (0.46) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL24747412 0.75 ADORA2A (0.55) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL7149747 0.74 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL21116577 0.73 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL6441106 0.73 ADORA2A (0.64) ALDH1A1KMT2AMEN1KDM4EHPGD
Ammonia Solution, Strong SCHEMBL19717396 0.72 ADORA1 (0.50) ALDH1A1KMT2AMEN1KDM4EHPGD
SCHEMBL4421002 0.72 RXFP1 (0.61) KMT2AMEN1KDM4EHPGDNPSR1
SCHEMBL6262120 0.70 MEN1 (1.00) ALDH1A1KMT2AMEN1KDM4EHPGD

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-20110028472-A1 THIENOPYRIMIDINES MERCK PATENT CESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-02-03 US disclosed
EP-2260044-A2 THIENOPYRIMIDINES Merck Patent GmbH (DE) 2010-12-15 EP disclosed
WO-2009124653-A2 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2009-10-15 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 (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-20110028472-A1 THIENOPYRIMIDINES TGFBR1, TYMP, TGFBR2 ALDH1A1 690/4885KMT2A 1898/4885MEN1 2849/4885

“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.