SCHEMBL19638026

SCHEMBL19638026

N#Cc1sc(NC(=O)c2ccc(C(=O)O)s2)nc1-c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.53
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
NPC1 O15118 1/20 0.43
ADORA3 P0DMS8 5/20 0.42

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
SCHEMBL19638267 0.91 ADORA2A (0.48) ADORA2AMKNK1MKNK2LMNAKDM4E
SCHEMBL19637993 0.89 ADORA2A (0.65) ADORA2ALMNAKDM4EALDH1A1POLB
SCHEMBL19638099 0.83 ADORA2A (0.53) ADORA2ALMNAADORA3MEN1KMT2A
SCHEMBL19638113 0.82 ADORA2A (0.54) ADORA2ALMNAKDM4EALDH1A1NPC1
SCHEMBL19638250 0.82 ADORA2A (0.54) ADORA2ALMNAKDM4EALDH1A1NPC1
SCHEMBL19638106 0.82 ADORA3 (0.56) ADORA2AKDM4EALDH1A1NPC1ADORA3
SCHEMBL19638040 0.81 ADORA2A (0.60) ADORA2ALMNAALDH1A1NPC1ADORA3
SCHEMBL19638066 0.80 ADORA3 (0.46) ADORA2AMKNK1MKNK2POLBADORA3
SCHEMBL19638387 0.80 ADORA3 (0.57) ADORA2ALMNAKDM4EALDH1A1POLB
SCHEMBL19638109 0.79 ADORA3 (0.53) ADORA2ALMNAKDM4EALDH1A1POLB

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
CN-107207445-B Adenosine A3Modulators of receptors 帕罗生物制药有限公司 2021-03-16 CN claimed
EP-3248964-B1 THIAZOLE MODULATORS OF A3 ADENOSINE RECEPTORS PALOBIOFARMA SL (ES) 2019-07-17 EP claimed
US-10238637-B2 Modulators of the adenosine A3 receptors PALOBIOFARMA, S.L. (ES) 2019-03-26 US claimed
US-20180263963-A1 MODULATORS OF THE ADENOSINE A3 RECEPTORS PALOBIOFARMA, S.L. (ES) 2018-09-20 US claimed
EP-3248964-A1 THIAZOLE MODULATORS OF A3 ADENOSINE RECEPTORS PALOBIOFARMA S.L. (ES) 2017-11-29 EP claimed
CN-107207445-B Adenosine A3Modulators of receptors 帕罗生物制药有限公司 2021-03-16 CN disclosed
EP-3248964-B1 THIAZOLE MODULATORS OF A3 ADENOSINE RECEPTORS PALOBIOFARMA SL (ES) 2019-07-17 EP disclosed
US-10238637-B2 Modulators of the adenosine A3 receptors PALOBIOFARMA, S.L. (ES) 2019-03-26 US disclosed
US-20180263963-A1 MODULATORS OF THE ADENOSINE A3 RECEPTORS PALOBIOFARMA, S.L. (ES) 2018-09-20 US disclosed
EP-3248964-A1 THIAZOLE MODULATORS OF A3 ADENOSINE RECEPTORS PALOBIOFARMA S.L. (ES) 2017-11-29 EP 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-20180263963-A1 MODULATORS OF THE ADENOSINE A3 RECEPTORS ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885MKNK1 3978/4885MKNK2 3904/4885
US-10238637-B2 Modulators of the adenosine A3 receptors ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885MKNK1 3978/4885MKNK2 3904/4885

“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.