SCHEMBL13972003

SCHEMBL13972003

O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 4/20 1.00
P2RX3 P56373 2/20 0.86
P2RX2 Q9UBL9 2/20 0.86
NT5E P21589 5/20 0.84
ADORA3 P0DMS8 7/20 0.74
TP53 P04637 1/20 0.74
SLC29A1 Q99808 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
P2RY12 Q9H244 1/20 0.73
TAS1R3 Q7RTX0 1/20 0.67
TAS1R1 Q7RTX1 1/20 0.67
P2RX4 Q99571 1/20 0.67

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
SCHEMBL14700471 1.00 DNPH1 (1.00) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL13957724 1.00 DNPH1 (1.00) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL17022278 1.00 DNPH1 (1.00) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL29564113 1.00 DNPH1 (1.00) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL218999 1.00 DNPH1 (1.00) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL23440101 1.00 DNPH1 (1.00) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL9607782 0.93 P2RX3 (0.98) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL30076630 0.93 P2RX3 (0.98) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL29941330 0.93 P2RX3 (0.98) DNPH1P2RX3P2RX2NT5EADORA3
SCHEMBL13033867 0.93 P2RX3 (0.98) DNPH1P2RX3P2RX2NT5EADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029949-A1 GPCR Ligands Identified by Computational Modeling NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-29 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-20090029949-A1 GPCR Ligands Identified by Computational Modeling LPAR3, LPAR2, LPAR1 DNPH1 4103/4885P2RX3 763/4885P2RX2 930/4885

“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.