SCHEMBL19638124

SCHEMBL19638124

N#Cc1sc(NC(=O)c2cccc(C(=O)O)c2)nc1-c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.53
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
ADORA3 P0DMS8 10/20 0.45
ADORA1 P30542 6/20 0.45
ADORA2B P29275 2/20 0.45
CHRM5 P08912 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ROCK2 O75116 2/20 0.43

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
SCHEMBL19637941 0.92 ADORA2A (0.62) ADORA2AADORA3ADORA1ALDH1A1KDM4E
SCHEMBL19638133 0.88 ADORA2A (0.53) ADORA2AADORA3ADORA1ALDH1A1KDM4E
SCHEMBL17951287 0.85 ADORA3 (0.57) ADORA2AADORA3ADORA1ALDH1A1MAPT
SCHEMBL19637921 0.85 ADORA3 (0.56) ADORA2AADORA3ALDH1A1MAPTKDM4E
SCHEMBL19638116 0.84 ADORA2A (0.54) ADORA2AADORA3ADORA1ADORA2BKDM4E
SCHEMBL19638090 0.84 ADORA2A (0.48) ADORA2AADORA3ADORA1
SCHEMBL19638016 0.82 ACMSD (0.46) ADORA2AADORA3ADORA1ALDH1A1KDM4E
SCHEMBL17951033 0.82 ADORA3 (0.49) ADORA2AADORA3ALDH1A1MAPTKDM4E
SCHEMBL19637975 0.82 ADORA2A (0.66) ADORA2AADORA3ADORA1ALDH1A1KDM4E
SCHEMBL19638164 0.81 GCK (0.45) ADORA2AADORA3ADORA1ALDH1A1MAPT

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 2/4885CDC7 4075/4885DBF4 3815/4885
US-10238637-B2 Modulators of the adenosine A3 receptors ADORA3, ADORA2A, ADORA1 ADORA2A 2/4885CDC7 4075/4885DBF4 3815/4885

“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.