SCHEMBL8738467

SCHEMBL8738467

CC1(C)N=C(N)N=C(N)N1CCCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 1.00
CYP2D6 P10635 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
HIF1A Q16665 1/20 1.00
PPP3CB P16298 1/20 0.66
DHFR P00374 8/20 0.63
RAD52 P43351 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
Hydrochloric Acid SCHEMBL6115548 0.99 TP53 (0.97) TP53CYP2D6SMN1; SMN2HIF1APPP3CB
SCHEMBL1936223 0.96 TP53 (0.92) TP53CYP2D6SMN1; SMN2HIF1APPP3CB
Hydrochloric Acid SCHEMBL8986139 0.94 TP53 (0.90) TP53CYP2D6SMN1; SMN2HIF1APPP3CB
SCHEMBL672319 0.81 DHFR (0.73) TP53CYP2D6SMN1; SMN2HIF1APPP3CB
SCHEMBL16102719 0.80 PPP3CB (1.00) TP53CYP2D6SMN1; SMN2HIF1APPP3CB
SCHEMBL28754650 0.70 DHFR (0.54) TP53CYP2D6SMN1; SMN2HIF1APPP3CB
SCHEMBL28637690 0.69 TP53 (0.53) TP53CYP2D6SMN1; SMN2HIF1APPP3CB
SCHEMBL672667 0.68 DHFR (0.52) TP53CYP2D6SMN1; SMN2HIF1ADHFR
Hydrochloric Acid SCHEMBL8934038 0.68 DHFR (1.00) DHFR
SCHEMBL14577782 0.67 DHFR (1.00) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TP53 356/4885CYP2D6 4837/4885SMN1; SMN2 2548/4885
US-20120129775-A1 ANTIANGIOGENIC SMALL MOLECULES AND METHODS OF USE VEGFA, FLT4, KDR TP53 356/4885CYP2D6 4837/4885SMN1; SMN2 2548/4885

“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.