SCHEMBL5090192

SCHEMBL5090192

Oc1c(C(Nc2ccccn2)c2ccccc2)ccc2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 1.00
JMJD7 P0C870 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
HIF1A Q16665 1/20 1.00
HSD17B10 Q99714 1/20 1.00
TEAD4 Q15561 1/20 0.86
P4HB P07237 7/20 0.82
MAPT P10636 4/20 0.82
SMN1; SMN2 Q16637 2/20 0.82
GRK6 P43250 1/20 0.82
LMNA P02545 3/20 0.77
KDM4E B2RXH2 2/20 0.77
HTT P42858 2/20 0.77
TDP1 Q9NUW8 2/20 0.77
USP2 O75604 2/20 0.77
ALOX15 P16050 1/20 0.77
NFKB1 P19838 1/20 0.77
MAPK1 P28482 1/20 0.77

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
SCHEMBL15783085 0.90 TP53 (0.82) TP53JMJD7CYP2D6CYP2C9CYP2C19
SCHEMBL14907817 0.90 GRK6 (1.00) TP53JMJD7CYP2D6CYP2C9CYP2C19
SCHEMBL23854803 0.90 TP53 (0.82) TP53JMJD7CYP2D6CYP2C9CYP2C19
SCHEMBL13836461 0.90 P4HB (1.00) TP53JMJD7CYP2D6CYP2C9CYP2C19
SCHEMBL13836221 0.90 P4HB (1.00) TP53JMJD7CYP2D6CYP2C9CYP2C19
SCHEMBL23875092 0.90 TP53 (0.81) TP53JMJD7CYP2D6CYP2C9CYP2C19
SCHEMBL23854792 0.88 TP53 (0.78) TP53JMJD7CYP2D6CYP2C9CYP2C19
SCHEMBL15783134 0.87 P4HB (0.79) TP53JMJD7CYP2D6CYP2C9CYP2C19
SCHEMBL15783133 0.87 P4HB (0.78) TP53JMJD7CYP2D6CYP2C9CYP2C19
SCHEMBL15783114 0.87 P4HB (1.00) TP53JMJD7CYP2D6CYP2C9CYP2C19

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073624-A2 ANTIPROLIFERATIVE BETTI BASES AND PRODRUGS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-04-04 WO disclosed
US-20210300898-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
US-20210300898-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
EP-3079697-B1 PROLYLHYDROXYLASE/ATF4 INHIBITORS FOR TREATING NEURAL CELL INJURY UNIV CORNELL (US) 2021-02-03 EP disclosed
US-20200360366-A1 PROLYLHYDROXYLASE/ATF4 INHIBITORS AND METHODS OF USE FOR TREATING NEURAL CELL INJURY OR DEATH AND CONDITIONS RESULTING THEREFROM CORNELL UNIVERSITY (US) 2020-11-19 US disclosed
US-10716783-B2 Prolylhydroxylase/ATF4 inhibitors and methods of use for treating neural cell injury or death and conditions resulting therefrom CORNELL UNIVERSITY (US) 2020-07-21 US disclosed
WO-2020061476-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 WO disclosed
US-20190256471-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AR (US) 2019-08-22 US disclosed
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2011-12-08 US disclosed
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2011-12-08 US disclosed
US-20110294848-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2011-12-01 US disclosed
US-20110294848-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2011-12-01 US disclosed
US-20110224207-A1 FLAVIVIRUS INHIBITORS AND METHODS FOR THEIR USE GEORGETOWN UNIVERSITY (US) 2011-09-15 US disclosed
US-20110224207-A1 FLAVIVIRUS INHIBITORS AND METHODS FOR THEIR USE GEORGETOWN UNIVERSITY (US) 2011-09-15 US disclosed
WO-2010039538-A2 FLAVIVIRUS INHIBITORS AND METHODS FOR THEIR USE GEORGETOWN UNIVERSITY (US) 2010-04-08 WO disclosed
WO-2009151972-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS , THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2009-12-17 WO disclosed
US-20080292619-A1 Pharmaceutical Composition Containing Meltrin Antagonist MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2008-11-27 US disclosed
EP-1797897-A1 MEDICINAL COMPOSITION CONTAINING MELTRIN ANTAGONIST MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2007-06-20 EP 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 (8 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-20200360366-A1 PROLYLHYDROXYLASE/ATF4 INHIBITORS AND METHODS OF USE FOR TREATING NEURAL CELL INJURY OR DEATH AND CONDITIONS RESULTING THEREFROM ATF4, P4HTM, P4HA1 TP53 2913/4885JMJD7 2485/4885CYP2D6 3264/4885
US-20210300898-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 TP53 6/4885JMJD7 3726/4885CYP2D6 4671/4885
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 TP53 230/4885JMJD7 307/4885CYP2D6 2533/4885
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 TP53 4180/4885JMJD7 3640/4885CYP2D6 2985/4885
US-20110224207-A1 FLAVIVIRUS INHIBITORS AND METHODS FOR THEIR USE SERPINB1, SPINT2, MME TP53 4517/4885JMJD7 1125/4885CYP2D6 4230/4885
US-20190256471-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS RAC2, BTN3A1, GDI1 TP53 3978/4885JMJD7 3208/4885CYP2D6 3729/4885
US-10716783-B2 Prolylhydroxylase/ATF4 inhibitors and methods of use for treating neural cell injury or death and conditions resulting therefrom HIF1AN, EGLN3, EGLN2 TP53 2633/4885JMJD7 2274/4885CYP2D6 3150/4885
US-20110294848-A1 SMALL MOLECULE INHIBITORS OF BOTULINUM NEUROTOXINS RAC2, BTN3A1, GDI1 TP53 3978/4885JMJD7 3208/4885CYP2D6 3729/4885

“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.