SCHEMBL5255657

SCHEMBL5255657

CCOC(=O)c1nc2c(S)ncnc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
ALDH1A1 P00352 6/20 0.38
MAPT P10636 7/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
KDM4E B2RXH2 5/20 0.37
PTGS2 P35354 1/20 0.37
TSHR P16473 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HPGD P15428 4/20 0.37
GAA P10253 4/20 0.37
NPSR1 Q6W5P4 3/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 2/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL24201945 0.86 HSD17B10 (0.48) HSD17B10CDC7DBF4ALDH1A1MAPT
SCHEMBL20505660 0.83 HSD17B10 (0.46) HSD17B10CDC7DBF4ALDH1A1MAPT
SCHEMBL5065405 0.81 HSD17B10 (0.44) HSD17B10CDC7DBF4ALDH1A1MAPT
SCHEMBL23291972 0.75 ALDH1A1 (0.47) HSD17B10ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL25224853 0.73 HSD17B10 (0.41) HSD17B10CDC7DBF4ALDH1A1MAPT
SCHEMBL20506648 0.71 EIF4E (0.64) HSD17B10ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL20573792 0.70 MKNK1 (0.63) HSD17B10ALDH1A1SMN1; SMN2TSHRMKNK1
SCHEMBL29571427 0.70 MKNK1 (0.63) HSD17B10ALDH1A1SMN1; SMN2TSHRMKNK1
SCHEMBL20506461 0.69 KDM4E (0.46) HSD17B10ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL25680668 0.69 ALDH1A1 (0.43) HSD17B10ALDH1A1MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159789-A1 SUBSTITUTED PYRAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-09 US disclosed
US-20160159789-A1 SUBSTITUTED PYRAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-09 US disclosed
US-20160159789-A1 SUBSTITUTED PYRAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-09 US disclosed
EP-3019505-A1 SUBSTITUTED PYRAZOLO-PYRIDINAMINES Bayer Pharma Aktiengesellschaft (DE) 2016-05-18 EP disclosed
WO-2015004024-A1 SUBSTITUTED PYRAZOLO-PYRIDINAMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-15 WO disclosed
WO-2015004024-A1 SUBSTITUTED PYRAZOLO-PYRIDINAMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-15 WO disclosed
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine ASTRAZENECA AB (SE) 2007-10-18 US disclosed
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine ASTRAZENECA AB (SE) 2007-10-18 US disclosed
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine ASTRAZENECA AB (SE) 2007-10-18 US disclosed
EP-1755610-A2 THIENOPYRIMIDINES AND THIAZOLOPYRIMIDINES FOR USE IN MEDICINE AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005117890-A2 THIENOPYRIMIDINES AND THIAZOLOPYRIMIDINES FOR USE IN MEDICINE ASTRAZENECA AB (SE) 2005-12-15 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 (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-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine CXCR4, CXCR1, CXCR3 HSD17B10 3760/4885CDC7 2511/4885DBF4 2581/4885
US-20160159789-A1 SUBSTITUTED PYRAZOLOPYRIDINES DPYD, PGF, VEGFA HSD17B10 3160/4885CDC7 2618/4885DBF4 3472/4885

“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.