SCHEMBL479008

SCHEMBL479008

CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 4/20 0.67
RNASEL Q05823 5/20 0.67
P2RX1 P51575 2/20 0.62
P2RX3 P56373 2/20 0.62
P2RX2 Q9UBL9 2/20 0.62
P2RY1 P47900 4/20 0.61
ADORA1 P30542 2/20 0.61
SRC P12931 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
P2RX4 Q99571 1/20 0.61
ALDH1A1 P00352 1/20 0.61
DNPH1 O43598 1/20 0.61
PRKAB2 O43741 1/20 0.61
TRPM2 O94759 1/20 0.61
LDHA P00338 1/20 0.61
ADRB2 P07550 1/20 0.61
FBP1 P09467 1/20 0.61
PRKAG1 P54619 1/20 0.61
PRKAA2 P54646 1/20 0.61
PDE4D Q08499 1/20 0.61

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
SCHEMBL8167524 0.89 ADORA1 (0.74) P2RY2RNASELP2RX1P2RX3P2RX2
SCHEMBL29539212 0.89 ADORA1 (0.74) P2RY2RNASELP2RX1P2RX3P2RX2
SCHEMBL4370169 0.88 ADORA1 (0.73) P2RY2RNASELP2RX1P2RX3P2RX2
SCHEMBL536567 0.88 ADORA1 (0.73) P2RY2RNASELP2RX1P2RX3P2RX2
SCHEMBL30918598 0.88 ADORA1 (0.73) P2RY2RNASELP2RX1P2RX3P2RX2
SCHEMBL15201534 0.88 RNASEL (0.72) P2RY2RNASELP2RX1P2RX3P2RX2
SCHEMBL29675135 0.87 RNASEL (0.82) P2RY2RNASELP2RX1P2RX3P2RX2
SCHEMBL7260957 0.87 RNASEL (0.82) P2RY2RNASELP2RX1P2RX3P2RX2
SCHEMBL668585 0.87 RNASEL (0.77) P2RY2RNASELP2RX1P2RX3P2RX2
SCHEMBL11413776 0.86 RNASEL (0.84) P2RY2RNASELP2RX1P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540323-B2 7-hydroxy-indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-10 US disclosed
US-9428504-B2 7-hydroxy-spiropipiperidine indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-30 US disclosed
EP-2880034-B1 AMINO-HETEROARYL 7-HYDROXY-SPIROPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2016-06-22 EP disclosed
EP-2892898-B1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2016-05-25 EP disclosed
US-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-09-17 US disclosed
US-9120798-B2 Amino-heteroaryl 7-hydroxy-spiropiperidine indolinyl antagonists of P2Y1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-01 US disclosed
EP-2102189-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 EP disclosed
US-20150197521-A1 AMINO-HETEROARYL 7-HYDROXY-SPIROPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY 2015-07-16 US disclosed
EP-2892894-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR Bristol-Myers Squibb Company (US) 2015-07-15 EP disclosed
EP-2892898-A1 7-HYDROXY-SPIROPIPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR Bristol-Myers Squibb Company (US) 2015-07-15 EP disclosed
WO-2006078621-A2 2-PHENOXY-N- (1, 3 , 4-THIADIZOL-2-YL) PYRIDIN-3-AMINE DERIVATIVES AND RELATED COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-27 WO disclosed
WO-2006076575-A2 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060154915-A1 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 US disclosed
WO-2005113511-A9 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2006-02-02 WO disclosed
WO-2005113537-A2 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO disclosed
WO-2005113511-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO disclosed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US disclosed
US-20050261244-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-11-24 US disclosed
US-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-09-15 US disclosed
WO-2005070920-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-08-04 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 (6 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-20050203146-A1 Amino-benzazoles as P2Y1 receptor inhibitors P2RY1, P2RY11, P2RY2 P2RY2 3/4885RNASEL 4060/4885P2RX1 10/4885
US-20060154915-A1 Substituted biaryl compounds as factor XIa inhibitors TFPI, F3, F12 P2RY2 4339/4885RNASEL 1233/4885P2RX1 4178/4885
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 P2RY2 3/4885RNASEL 2338/4885P2RX1 9/4885
US-20150197521-A1 AMINO-HETEROARYL 7-HYDROXY-SPIROPIPERIDINE INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY2, P2RY11 P2RY2 2/4885RNASEL 4535/4885P2RX1 12/4885
US-20050261244-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 P2RY2 3/4885RNASEL 2929/4885P2RX1 10/4885
US-20150259286-A1 7-HYDROXY-INDOLINYL ANTAGONISTS OF P2Y1 RECEPTOR P2RY1, P2RY11, P2RY2 P2RY2 3/4885RNASEL 4493/4885P2RX1 12/4885

“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.