SCHEMBL3957194

SCHEMBL3957194

Nc1ncnc2c(C3OC(CO)C(O)C3O)nsc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 1.00
▸ GAPDH P04406 3/20 0.46
▸ DOT1L Q8TEK3 2/20 0.46
▸ ADORA3 P0DMS8 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ DPP4 P27487 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ SLC28A1 O00337 1/20 0.46
▸ MAP3K7 O43318 1/20 0.46
▸ SLC28A2 O43868 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ STAT6 P42226 1/20 0.46
▸ PI4KA P42356 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PI4K2B Q8TCG2 1/20 0.46
▸ SLC29A1 Q99808 1/20 0.46
▸ PI4K2A Q9BTU6 1/20 0.46

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
SCHEMBL22704695 0.79 HIF1A (0.65) HIF1AGAPDHDOT1LADORA3SMN1; SMN2
SCHEMBL3297374 0.79 HIF1A (0.65) HIF1AGAPDHDOT1LADORA3SMN1; SMN2
Formycin SCHEMBL980049 0.76 HIF1A (0.61) HIF1AGAPDHDOT1LADORA3SMN1; SMN2
Formycin SCHEMBL14074914 0.76 HIF1A (0.61) HIF1AGAPDHDOT1LADORA3SMN1; SMN2
Formycin SCHEMBL15262901 0.76 HIF1A (0.61) HIF1AGAPDHDOT1LADORA3SMN1; SMN2
SCHEMBL3301771 0.73 HIF1A (0.58) HIF1AGAPDHDOT1LADORA3SMN1; SMN2
SCHEMBL12261313 0.72 HIF1A (0.57) HIF1AGAPDHDOT1LADORA3SMN1; SMN2
Formycin SCHEMBL10149284 0.71 HIF1A (0.55) HIF1AGAPDHDOT1LADORA3SMN1; SMN2
Formycin SCHEMBL4196088 0.71 HIF1A (0.55) HIF1AGAPDHDOT1LADORA3SMN1; SMN2
SCHEMBL3304855 0.70 PNP (0.58) HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473527-B2 Compounds promoting delivery of genes THE UAB RESEARCH FOUNDATION (US) 2009-01-06 — — US claimed
US-9504729-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-11-29 — — US disclosed
US-9504729-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-11-29 — — US disclosed
US-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2016-02-04 — — US disclosed
US-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2016-02-04 — — US disclosed
US-9186365-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 — — US disclosed
US-9186365-B2 Antiangiogenic small molecules and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-17 — — US disclosed
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-05-24 — — US disclosed
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2012-05-24 — — US disclosed
WO-2011014825-A2 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-02-03 — — 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 (2 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-20160030508-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR HIF1A 85/4885GAPDH 686/4885DOT1L 3592/4885
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR HIF1A 85/4885GAPDH 686/4885DOT1L 3592/4885

“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.

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