SCHEMBL1509192

SCHEMBL1509192

CCCSc1nc(N)c2nnn([C@@H]3C[C@H](O)[C@H]4OC(C)(C)O[C@H]43)c2n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 16/20 0.43
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
FPR3 P25089 1/20 0.36
PDE4A P27815 1/20 0.36
GPR183 P32249 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE3A Q14432 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SLC29A1 Q99808 1/20 0.36
P2RY13 Q9BPV8 1/20 0.36

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
SCHEMBL15859659 1.00 P2RY12 (0.43) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL17679487 1.00 P2RY12 (0.43) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL29688120 1.00 P2RY12 (0.43) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL14709081 1.00 P2RY12 (0.43) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL14900240 0.89 P2RY12 (0.44) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL19712299 0.89 P2RY12 (0.44) P2RY12
SCHEMBL29688154 0.89 P2RY12 (0.49) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL1838603 0.89 P2RY12 (0.49) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL15859656 0.88 P2RY12 (0.43) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL15757983 0.88 P2RY12 (0.43) P2RY12PGRADORA3CHRM1DRD1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46276-E1 Triazolo(4,5-D)pyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2017-01-17 US claimed
US-20150152111-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION ASTRAZENECA UK LIMITED (GB) 2015-06-04 US claimed
US-20140296258-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITON ASTRAZENECA UK LIMITED (GB) 2014-10-02 US claimed
US-20130109702-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION ASTRAZENECA AB (GB) 2013-05-02 US claimed
US-20130072503-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION ASTRAZENECA (GB) 2013-03-21 US claimed
US-20120165348-A1 Novel compounds ASTRAZENECA AB (SE) 2012-06-28 US claimed
EP-2322513-A2 Intermediates AstraZeneca AB (SE) 2011-05-18 EP claimed
US-20100069408-A1 Trisubstituted triazolopyrimidines for use in platelet aggregation inhibition ASTRAZENECA AB (SE) 2010-03-18 US claimed
EP-1135391-B1 NOVEL TRIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP claimed
US-20030144305-A1 Novel compounds ASTRAZENECA AB 2003-07-31 US claimed
US-6525060-B1 P2T (P2YADP or P2TAC) receptor antagonists; anticoagulant, antithrombotic ASTRAZENECA UK LIMITED (GB) 2003-02-25 US claimed
US-11354990-B2 Treatment of kidney diseases associated with elevated AVP THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2022-06-07 US disclosed
EP-1493745-B2 New crystalline and amorphous form of a triazolo(4,5-D)pyrimidine compound ASTRAZENECA AB (SE) 2021-05-19 EP disclosed
US-20200234552-A1 TREATMENT OF KIDNEY DISEASES ASSOCIATED WITH ELEVATED AVP THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2020-07-23 US disclosed
US-10614684-B2 Treatment of kidney diseases associated with elevated AVP THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE (US) 2020-04-07 US disclosed
US-20070293513-A1 Cristalline and amorphous form of a triazolo (4,5-d) pyridimine compound ASTRAZENECA AB (SE) 2007-12-20 US disclosed
US-7265124-B2 Cristalline and amorphous form of a triazolo (4,5-D) pyridimine compound ASTRAZENECA AB (SE) 2007-09-04 US disclosed
US-20070173518-A1 CRISTALLINE AND AMORPHOUS FORM OF A TRIAZOLO (4,5-D) PYRIDIMINE COMPOUND ASTRAZENECA AB (SE) 2007-07-26 US disclosed
EP-1493745-A1 New crystalline and amorphous form of a triazolo(4,5-D)pyrimidine compound AstraZeneca AB (SE) 2005-01-05 EP disclosed
US-20030181469-A1 Crystalline and amorphous form of a triazolo(4,5-d)pyrimidine compound ASTRA ZENCA AB (SE) 2003-09-25 US 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 (13 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-20070293513-A1 Cristalline and amorphous form of a triazolo (4,5-d) pyridimine compound PNPO, MT-ND5, CYP3A5 P2RY12 1838/4885PGR 3117/4885ADORA3 493/4885
US-20120165348-A1 Novel compounds P2RX5, P2RX4, P2RY4 P2RY12 25/4885PGR 1682/4885ADORA3 35/4885
US-10614684-B2 Treatment of kidney diseases associated with elevated AVP AVPR2, PKD1, AVPR1A P2RY12 321/4885PGR 1851/4885ADORA3 85/4885
US-11354990-B2 Treatment of kidney diseases associated with elevated AVP AVPR2, PKD1, AVPR1A P2RY12 321/4885PGR 1851/4885ADORA3 85/4885
US-20150152111-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION THPO, PF4, P2RY4 P2RY12 12/4885PGR 1409/4885ADORA3 154/4885
US-20030181469-A1 Crystalline and amorphous form of a triazolo(4,5-d)pyrimidine compound TYMP, TYMS, DPYD P2RY12 261/4885PGR 3490/4885ADORA3 197/4885
US-20100069408-A1 Trisubstituted triazolopyrimidines for use in platelet aggregation inhibition THPO, PF4, P2RY4 P2RY12 12/4885PGR 1409/4885ADORA3 154/4885
US-20140296258-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITON GP6, THPO, P2RY6 P2RY12 11/4885PGR 1162/4885ADORA3 159/4885
US-20030144305-A1 Novel compounds DPYD, TYMP, NUDT15 P2RY12 72/4885PGR 2189/4885ADORA3 230/4885
US-20200234552-A1 TREATMENT OF KIDNEY DISEASES ASSOCIATED WITH ELEVATED AVP AVPR2, PKD1, AVPR1A P2RY12 321/4885PGR 1851/4885ADORA3 85/4885
US-20130072503-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION THPO, PF4, P2RY4 P2RY12 12/4885PGR 1409/4885ADORA3 154/4885
US-20130109702-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITION THPO, PF4, P2RY4 P2RY12 12/4885PGR 1409/4885ADORA3 154/4885
US-20070173518-A1 CRISTALLINE AND AMORPHOUS FORM OF A TRIAZOLO (4,5-D) PYRIDIMINE COMPOUND MT-ND5, PNPO, PDXK P2RY12 1894/4885PGR 2852/4885ADORA3 430/4885

“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.