SCHEMBL20705359

SCHEMBL20705359

COc1nc(F)c(-c2ccccc2)c2sc(C(N)=O)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CDC7 O00311 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
DBF4 Q9UBU7 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LIMK1 P53667 2/20 0.36
SQOR Q9Y6N5 1/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
SCN9A Q15858 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
DHODH Q02127 1/20 0.35
ADORA2A P29274 1/20 0.35
EDNRA P25101 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL20702391 0.86 MAPT (0.40) ALDH1A1HSD17B10CDC7CCNE1CDK2
SCHEMBL20702784 0.85 MAPT (0.38) ALDH1A1HSD17B10CDC7CCNE1CDK2
SCHEMBL22027608 0.84 ALDH1A1 (0.38) ALDH1A1CDC7CCNE1CDK2DBF4
SCHEMBL20702576 0.82 ALDH1A1 (0.44) ALDH1A1HSD17B10CDC7CCNE1CDK2
SCHEMBL20705360 0.82 CYP3A4 (0.38) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL20702444 0.77 LIMK1 (0.42) ALDH1A1HSD17B10CDC7CCNE1CDK2
SCHEMBL20702423 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL24348256 0.75 NPC1 (0.34) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL29605460 0.74 ADORA1 (0.38) ALDH1A1HSD17B10KDM4ESMN1; SMN2MAPT
SCHEMBL29606301 0.73 KMT2A (0.36) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661941-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP claimed
US-20220119412-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-04-21 US claimed
US-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2021-11-30 US claimed
US-20200181171-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-06-11 US claimed
EP-3661941-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP disclosed
US-20220119412-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-04-21 US disclosed
US-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2021-11-30 US disclosed
US-20200181171-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-06-11 US disclosed
EP-3661941-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-06-10 EP disclosed
WO-2019025099-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-07 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 (3 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-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists ADORA1, ADORA2A, AMPD2 ALDH1A1 585/4885HSD17B10 4122/4885CDC7 766/4885
US-20200181171-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, AMPD2 ALDH1A1 585/4885HSD17B10 4122/4885CDC7 766/4885
US-20220119412-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 ALDH1A1 233/4885HSD17B10 4021/4885CDC7 1177/4885

“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.