SCHEMBL537998

SCHEMBL537998

CSc1ncnc2c1ccn2C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 8/20 0.61
DNPH1 O43598 5/20 0.56
PRKAB2 O43741 1/20 0.56
TRPM2 O94759 1/20 0.56
LDHA P00338 1/20 0.56
ADRB2 P07550 1/20 0.56
FBP1 P09467 1/20 0.56
SRC P12931 1/20 0.56
ADORA1 P30542 1/20 0.56
P2RY1 P47900 1/20 0.56
PRKAG1 P54619 1/20 0.56
PRKAA2 P54646 1/20 0.56
PDE4D Q08499 1/20 0.56
KCNH2 Q12809 1/20 0.56
PRKAA1 Q13131 1/20 0.56
PDE3A Q14432 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
P2RY11 Q96G91 1/20 0.56

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
SCHEMBL537999 1.00 P2RY2 (0.61) P2RY2DNPH1PRKAB2TRPM2LDHA
SCHEMBL10049946 1.00 P2RY2 (0.61) P2RY2DNPH1PRKAB2TRPM2LDHA
SCHEMBL30969941 0.85 P2RY1 (0.70) P2RY2DNPH1PRKAB2TRPM2LDHA
SCHEMBL15305338 0.85 P2RY1 (0.70) P2RY2DNPH1PRKAB2TRPM2LDHA
SCHEMBL20277526 0.85 P2RY1 (0.70) P2RY2DNPH1PRKAB2TRPM2LDHA
SCHEMBL11027033 0.85 P2RY1 (0.70) P2RY2DNPH1PRKAB2TRPM2LDHA
SCHEMBL17816360 0.83 SLC29A1 (0.70) SLC29A1
SCHEMBL14831998 0.83 DNPH1 (0.73) P2RY2DNPH1PRKAB2TRPM2LDHA
SCHEMBL20277545 0.79 ADK (0.67) P2RY2DNPH1PRKAB2TRPM2LDHA
SCHEMBL14945947 0.79 TAS1R3 (0.56) P2RY2DNPH1PRKAB2TRPM2LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107323-A1 KINASE PROTEIN BINDING INHIBITORS UNIVERSITY OF FLORIDA (US) 2012-05-03 US claimed
CN-102427814-A Kinase protein binding inhibitors UNIV FLORIDA 2012-04-25 CN claimed
EP-2413938-A2 KINASE PROTEIN BINDING INHIBITORS University of Florida Research Foundation, Inc. (US) 2012-02-08 EP claimed
WO-2010104598-A2 KINASE PROTEIN BINDING INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-09-16 WO claimed
US-20120107323-A1 KINASE PROTEIN BINDING INHIBITORS UNIVERSITY OF FLORIDA (US) 2012-05-03 US disclosed
EP-2413938-A2 KINASE PROTEIN BINDING INHIBITORS University of Florida Research Foundation, Inc. (US) 2012-02-08 EP disclosed
WO-2010104598-A2 KINASE PROTEIN BINDING INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-09-16 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 (1 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-20120107323-A1 KINASE PROTEIN BINDING INHIBITORS PACSIN2, PRKCH, PRKDC P2RY2 2960/4885DNPH1 4381/4885PRKAB2 45/4885

“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.