SCHEMBL17072523

SCHEMBL17072523

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)C(O)[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.82
NT5E P21589 1/20 0.77
KRAS P01116 5/20 0.74
FUT5 Q11128 1/20 0.73
P2RX3 P56373 2/20 0.69
P2RY6 Q15077 2/20 0.69
P2RY2 P41231 1/20 0.69
P2RY4 P51582 1/20 0.69
ENPP1 P22413 2/20 0.67
P2RY1 P47900 2/20 0.67
P2RY12 Q9H244 1/20 0.67
IMPDH2 P12268 5/20 0.66
P2RX1 P51575 1/20 0.66
P2RY11 Q96G91 1/20 0.66
P2RX4 Q99571 1/20 0.66
IMPDH1 P20839 1/20 0.66
DCPS Q96C86 1/20 0.66

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
SCHEMBL80058 1.00 TGM2 (0.82) TGM2NT5EKRASFUT5P2RX3
SCHEMBL37405 1.00 TGM2 (0.82) TGM2NT5EKRASFUT5P2RX3
SCHEMBL101367 1.00 TGM2 (0.82) TGM2NT5EKRASFUT5P2RX3
SCHEMBL13210265 1.00 TGM2 (0.82) TGM2NT5EKRASFUT5P2RX3
SCHEMBL18775378 1.00 TGM2 (0.82) TGM2NT5EKRASFUT5P2RX3
SCHEMBL23969756 1.00 TGM2 (0.82) TGM2NT5EKRASFUT5P2RX3
Triphosphate SCHEMBL28597197 1.00 TGM2 (0.82) TGM2NT5EKRASFUT5P2RX3
SCHEMBL18785111 1.00 TGM2 (0.82) TGM2NT5EKRASFUT5P2RX3
Gtp SCHEMBL5809658 0.99 TGM2 (0.81) TGM2NT5EKRASFUT5P2RX3
SCHEMBL1304258 0.99 TGM2 (0.81) TGM2NT5EKRASFUT5P2RX3

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
US-20170112948-A1 Inorganic-organic hybrid compound Karlsruher Institut für Technologie (DE) 2017-04-27 US disclosed
US-20160281095-A1 Alkynyl-Derivatized Cap Analogs, Preparation and Uses Thereof Life Technologies Corporation 2016-09-29 US disclosed
US-9388420-B2 Alkynyl-derivatized cap analogs, preparation and uses thereof Life Technologies Corporation (US) 2016-07-12 US disclosed
US-20150376224-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-12-31 US disclosed
US-20150252373-A1 Alkynyl-Derivatized Cap Analogs, Preparation and Uses Thereof Life Technologies Corporation 2015-09-10 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 (4 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-20170112948-A1 Inorganic-organic hybrid compound SLCO4C1, SLCO2A1, SLCO1A2 TGM2 3027/4885NT5E 2746/4885KRAS 3753/4885
US-20160281095-A1 Alkynyl-Derivatized Cap Analogs, Preparation and Uses Thereof RNGTT, RNMT, NSUN3 TGM2 3535/4885NT5E 1269/4885KRAS 3129/4885
US-20150376224-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS CACYBP, PPA1, IPMK TGM2 634/4885NT5E 1030/4885KRAS 1830/4885
US-20150252373-A1 Alkynyl-Derivatized Cap Analogs, Preparation and Uses Thereof RNGTT, RNMT, NSUN3 TGM2 3535/4885NT5E 1269/4885KRAS 3129/4885

“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.