SCHEMBL14690160

SCHEMBL14690160

COc1cccc(OC)c1CNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 8/20 0.75
P2RX3 P56373 3/20 0.65
P2RX2 Q9UBL9 3/20 0.65
NT5E P21589 2/20 0.64
P2RY12 Q9H244 1/20 0.64
TAS1R3 Q7RTX0 2/20 0.62
TAS1R1 Q7RTX1 2/20 0.62
PRKAB2 O43741 1/20 0.60
TRPM2 O94759 1/20 0.60
LDHA P00338 1/20 0.60
ADRB2 P07550 1/20 0.60
FBP1 P09467 1/20 0.60
SRC P12931 1/20 0.60
ADORA1 P30542 1/20 0.60
P2RY2 P41231 1/20 0.60
P2RY1 P47900 1/20 0.60
PRKAG1 P54619 1/20 0.60
PRKAA2 P54646 1/20 0.60
PDE4D Q08499 1/20 0.60
KCNH2 Q12809 1/20 0.60

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
SCHEMBL14689693 0.95 DNPH1 (0.71) DNPH1P2RX3P2RX2NT5EP2RY12
SCHEMBL14689933 0.92 DNPH1 (0.70) DNPH1P2RX3P2RX2NT5EP2RY12
SCHEMBL621803 0.91 DNPH1 (0.72) DNPH1P2RX3P2RX2NT5EP2RY12
SCHEMBL14689717 0.91 DNPH1 (0.69) DNPH1P2RX3P2RX2NT5EP2RY12
SCHEMBL14689912 0.91 DNPH1 (0.69) DNPH1P2RX3P2RX2NT5EP2RY12
SCHEMBL14688927 0.91 DNPH1 (0.77) DNPH1P2RX3P2RX2NT5EP2RY12
SCHEMBL14689485 0.91 DNPH1 (0.69) DNPH1P2RX3P2RX2NT5EP2RY12
SCHEMBL14688918 0.91 DNPH1 (0.71) DNPH1P2RX3P2RX2NT5EP2RY12
SCHEMBL14689729 0.90 DNPH1 (0.77) DNPH1P2RX3P2RX2NT5EP2RY12
SCHEMBL14688777 0.90 DNPH1 (0.68) DNPH1P2RX3P2RX2NT5EP2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563801-B1 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2014-09-24 EP claimed
US-20130040908-A1 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5' -MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATIONS CONTAINING THESE COMPOUNDS BIOAPEX, S.R.O. (CZ) 2013-02-14 US claimed
US-9073961-B2 Substitution derivatives of N6 -benzyladenosine-5′-monophosphate, methods of preparation thereof, use thereof as medicaments, and therapeutic preparations containing these compounds UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2015-07-07 US disclosed
EP-2563801-B1 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5´-MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATION CONTAINING THESE COMPOUNDS Univerzita Palackého v Olomouci (CZ) 2014-09-24 EP disclosed
US-20130040908-A1 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5' -MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATIONS CONTAINING THESE COMPOUNDS BIOAPEX, S.R.O. (CZ) 2013-02-14 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 (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-20130040908-A1 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE-5' -MONOPHOSPHATE, METHODS OF PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, AND THERAPEUTIC PREPARATIONS CONTAINING THESE COMPOUNDS MTAP, RNMT, NUDT1 DNPH1 1012/4885P2RX3 339/4885P2RX2 507/4885

“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.