SCHEMBL1494905

SCHEMBL1494905

CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)C)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 13/20 1.00
MEN1 O00255 3/20 0.98
KMT2A Q03164 3/20 0.98
USP2 O75604 2/20 0.98
KDM4E B2RXH2 2/20 0.98
HTT P42858 2/20 0.98
NPC1 O15118 1/20 0.98
POLB P06746 1/20 0.98
RECQL P46063 1/20 0.98
RAB9A P51151 1/20 0.98
BLM P54132 1/20 0.98
ATM Q13315 1/20 0.86
MYC P01106 2/20 0.78
UHRF1 Q96T88 2/20 0.77
ALDH1A1 P00352 2/20 0.62
MAPT P10636 2/20 0.62
TP53 P04637 1/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
RAD52 P43351 1/20 0.60

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
SCHEMBL13735474 0.95 APEX1 (1.00) APEX1MEN1KMT2AUSP2KDM4E
SCHEMBL13734638 0.93 APEX1 (1.00) APEX1MEN1KMT2AUSP2KDM4E
SCHEMBL13734396 0.91 APEX1 (1.00) APEX1MEN1KMT2AUSP2KDM4E
SCHEMBL13735656 0.91 APEX1 (0.83) APEX1MEN1KMT2AUSP2KDM4E
Hydrochloric Acid SCHEMBL14777718 0.90 APEX1 (0.98) APEX1MEN1KMT2AUSP2KDM4E
SCHEMBL13832373 0.90 APEX1 (1.00) APEX1MEN1KMT2AUSP2KDM4E
SCHEMBL13734656 0.90 APEX1 (0.81) APEX1MEN1KMT2AUSP2KDM4E
SCHEMBL23528082 0.89 APEX1 (0.80) APEX1MEN1KMT2AUSP2KDM4E
SCHEMBL18285885 0.89 APEX1 (0.80) APEX1MEN1KMT2AUSP2KDM4E
SCHEMBL13832370 0.89 APEX1 (0.92) APEX1MEN1KMT2AUSP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US claimed
US-20230144106-A1 COMPOUNDS FOR THE MODULATION OF MYC ACTIVITY SYROS PHARMACEUTICALS INC (US) 2023-05-11 US disclosed
US-20230144106-A1 COMPOUNDS FOR THE MODULATION OF MYC ACTIVITY SYROS PHARMACEUTICALS INC (US) 2023-05-11 US disclosed
US-20230144106-A1 COMPOUNDS FOR THE MODULATION OF MYC ACTIVITY SYROS PHARMACEUTICALS INC (US) 2023-05-11 US disclosed
WO-2023077077-A1 RNA DEGRADERS AND USES THEREOF ARRAKIS THERAPEUTICS, INC. (US) 2023-05-04 WO disclosed
WO-2022093789-A1 SMALL MOLECULE INHIBITORS OF APEX, ALONE AND IN COMBINATION WITH OTHER CANCER DRUGS TO INHIBIT GROWTH OF CANCER CELLS DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-05 WO disclosed
US-20210188833-A1 COMPOUNDS FOR THE MODULATION OF MYC ACTIVITY SYROS PHARMACEUTICALS INC (US) 2021-06-24 US disclosed
US-20210188833-A1 COMPOUNDS FOR THE MODULATION OF MYC ACTIVITY SYROS PHARMACEUTICALS INC (US) 2021-06-24 US disclosed
US-10787444-B2 Compounds for the modulation of myc activity SYROS PHARMACEUTICALS, INC. (US) 2020-09-29 US disclosed
US-10787444-B2 Compounds for the modulation of myc activity SYROS PHARMACEUTICALS, INC. (US) 2020-09-29 US disclosed
US-8486945-B2 Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system Ivachtchenko, Alexandre Vasilievich (US) 2013-07-16 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
US-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2013-03-21 US disclosed
WO-2012154888-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 WO disclosed
WO-2012148889-A1 INHIBITORS OF HUMAN APURINIC/APYRIMIDINIC ENDONUCLEASE 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-11-01 WO disclosed
WO-2012148889-A1 INHIBITORS OF HUMAN APURINIC/APYRIMIDINIC ENDONUCLEASE 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-11-01 WO disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2011-03-03 US disclosed
WO-2009077956-A2 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM ALLA CHEM, LLC (US) 2009-06-25 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 (5 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-20130072473-A1 COMPOUNDS FOR TREATING PROTEIN FOLDING DISORDERS HSPA5, PSMG3, VCP APEX1 2669/4885MEN1 4255/4885KMT2A 4747/4885
US-20210188833-A1 COMPOUNDS FOR THE MODULATION OF MYC ACTIVITY MYC, MYCBP, MYCBP2 APEX1 1879/4885MEN1 58/4885KMT2A 3918/4885
US-20230144106-A1 COMPOUNDS FOR THE MODULATION OF MYC ACTIVITY MYC, MYCBP, MYCBP2 APEX1 1879/4885MEN1 58/4885KMT2A 3918/4885
US-10787444-B2 Compounds for the modulation of myc activity MYC, MYCBP, MYCBP2 APEX1 1196/4885MEN1 41/4885KMT2A 3708/4885
US-20110053915-A1 HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM SHH, SMO, GLI1 APEX1 4588/4885MEN1 2949/4885KMT2A 1623/4885

“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.