SCHEMBL19638094

SCHEMBL19638094

COc1ccc(-c2nc(NC(=O)c3ccc(C(=O)O)s3)sc2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.55
ADORA2A P29274 3/20 0.50
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
ADORA1 P30542 6/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
USP2 O75604 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RECQL P46063 1/20 0.45
THRB P10828 1/20 0.45
PTGS2 P35354 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL19638387 0.88 ADORA3 (0.57) ADORA3ADORA2AMAPTALDH1A1LMNA
SCHEMBL19637977 0.88 ADORA2A (0.48) ADORA3ADORA2AMAPTALDH1A1LMNA
SCHEMBL19638113 0.87 ADORA2A (0.54) ADORA3ADORA2AMAPTALDH1A1LMNA
SCHEMBL19638250 0.87 ADORA2A (0.54) ADORA3ADORA2AMAPTALDH1A1LMNA
SCHEMBL19637993 0.87 ADORA2A (0.65) ADORA3ADORA2AMAPTALDH1A1LMNA
SCHEMBL19638140 0.86 ADORA3 (0.63) ADORA3ADORA2AMAPTLMNAKDM4E
SCHEMBL19638066 0.86 ADORA3 (0.46) ADORA3ADORA2AMAPTMEN1KMT2A
SCHEMBL19638040 0.85 ADORA2A (0.60) ADORA3ADORA2AMAPTALDH1A1LMNA
SCHEMBL19637998 0.84 ADORA3 (0.54) ADORA3ADORA2AMAPTALDH1A1LMNA
SCHEMBL19638083 0.84 DDX3X (0.62) ADORA3ADORA2AMAPTALDH1A1LMNA

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 ADORA3 1/4885ADORA2A 2/4885MAPT 3832/4885
US-10238637-B2 Modulators of the adenosine A3 receptors ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA2A 2/4885MAPT 3832/4885

“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.