SCHEMBL17951012

SCHEMBL17951012

COc1ccc(-c2nc(N)sc2C#N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.64
WDR5 P61964 2/20 0.64
ADORA1 P30542 4/20 0.57
ADORA2A P29274 1/20 0.52
ALDH1A1 P00352 7/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 6/20 0.46
KDM4E B2RXH2 5/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 3/20 0.46
PKM P14618 1/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
XBP1 P17861 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
SCHEMBL202790 0.83 ALDH1A1 (0.62) MYCWDR5ADORA1ADORA2AALDH1A1
SCHEMBL19638187 0.83 ADORA1 (0.57) MYCWDR5ADORA1ADORA2ANPSR1
SCHEMBL30309328 0.83 ADORA1 (0.57) MYCWDR5ADORA1ADORA2ANPSR1
SCHEMBL19638111 0.81 SCN5A (0.46) MYCWDR5ADORA1ADORA2ASMN1; SMN2
SCHEMBL19637978 0.81 ADORA1 (0.51) MYCWDR5ADORA1ADORA2AALDH1A1
SCHEMBL19638228 0.81 MYC (0.44) MYCWDR5ALDH1A1NPSR1MAPT
SCHEMBL19637944 0.80 PIK3CA (0.52) MYCWDR5
SCHEMBL28724215 0.80 MYC (0.61) MYCWDR5ADORA1ADORA2AALDH1A1
SCHEMBL1852196 0.80 MYC (0.61) MYCWDR5ADORA1ADORA2AALDH1A1
SCHEMBL19650376 0.79 MYC (0.60) MYCWDR5ADORA1ADORA2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110198939-B Modulators of adenosine A3 receptors 帕罗生物制药有限公司 2023-03-28 CN disclosed
CN-107207445-B Adenosine A3Modulators of receptors 帕罗生物制药有限公司 2021-03-16 CN disclosed
EP-3581572-B1 ADENOSINE A3 RECEPTOR MODULATORS PALOBIOFARMA SL (ES) 2020-11-25 EP disclosed
US-10744125-B2 Adenosine A3 receptor modulators PALOBIOFARMA, S.L. (ES) 2020-08-18 US disclosed
CN-110198939-A The regulator of adenosine A 3 receptor 帕罗生物制药有限公司 2019-09-03 CN disclosed
EP-3248964-B1 THIAZOLE MODULATORS OF A3 ADENOSINE RECEPTORS PALOBIOFARMA SL (ES) 2019-07-17 EP 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-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
EP-3248964-A1 THIAZOLE MODULATORS OF A3 ADENOSINE RECEPTORS PALOBIOFARMA S.L. (ES) 2017-11-29 EP disclosed
WO-2016116652-A1 MODULATORS OF THE ADENOSINE A3 RECEPTORS PALOBIOFARMA, S.L. (ES) 2016-07-28 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-20180263963-A1 MODULATORS OF THE ADENOSINE A3 RECEPTORS ADORA3, ADORA2A, ADORA1 MYC 4788/4885WDR5 3585/4885ADORA1 3/4885
US-10744125-B2 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 MYC 4695/4885WDR5 3622/4885ADORA1 3/4885
US-10238637-B2 Modulators of the adenosine A3 receptors ADORA3, ADORA2A, ADORA1 MYC 4788/4885WDR5 3585/4885ADORA1 3/4885

“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.