SCHEMBL20705299

SCHEMBL20705299

COc1ncc(-c2cccnc2)c2sc(NC(=O)c3ccc(C(=O)N(C)C)cc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.48
SCD O00767 2/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CSNK2A1 P68400 3/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
POLQ O75417 2/20 0.42
TRPV4 Q9HBA0 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TP53 P04637 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
RAB9A P51151 1/20 0.40
DUSP3 P51452 1/20 0.40

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
SCHEMBL30127887 1.00 CHRM4 (0.48) CHRM4SCDALDH1A1KDM4ESMN1; SMN2
SCHEMBL20702388 0.92 CSNK2A1 (0.46) ALDH1A1SMN1; SMN2CSNK2A1POLQTP53
SCHEMBL20702376 0.91 CHRM4 (0.48) CHRM4ALDH1A1SMN1; SMN2CSNK2A1LMNA
SCHEMBL30128063 0.91 CHRM4 (0.48) CHRM4ALDH1A1SMN1; SMN2CSNK2A1LMNA
SCHEMBL22064054 0.89 CHRM4 (0.55) CHRM4SCDALDH1A1KDM4ESMN1; SMN2
SCHEMBL30127873 0.84 ADORA2A (0.44) ALDH1A1SMN1; SMN2CSNK2A1LMNAPOLQ
SCHEMBL22027634 0.84 ADORA2A (0.44) ALDH1A1SMN1; SMN2CSNK2A1LMNAPOLQ
SCHEMBL20702441 0.84 POLQ (0.47) SCDALDH1A1SMN1; SMN2CSNK2A1POLQ
SCHEMBL24713254 0.83 ADORA1 (0.44) CHRM4SCDLMNARAB9ADUSP3
SCHEMBL20702421 0.83 ADORA1 (0.47) ALDH1A1KDM4ESMN1; SMN2LMNATRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661941-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-06-10 EP claimed
WO-2019025099-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-07 WO claimed
EP-3661941-B1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP disclosed
US-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2021-11-30 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 (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-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists ADORA1, ADORA2A, AMPD2 CHRM4 3173/4885SCD 4420/4885ALDH1A1 585/4885
US-20200181171-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, AMPD2 CHRM4 3173/4885SCD 4420/4885ALDH1A1 585/4885

“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.