SCHEMBL1494902

SCHEMBL1494902

Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 1.00
ALDH1A1 P00352 9/20 1.00
HPGD P15428 6/20 1.00
THRB P10828 2/20 1.00
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
MAPT P10636 7/20 0.78
GLA P06280 7/20 0.71
GAA P10253 7/20 0.71
POLB P06746 6/20 0.71
MAPK1 P28482 1/20 0.67
HSD17B10 Q99714 3/20 0.66
LMNA P02545 1/20 0.65
RAB9A P51151 1/20 0.65
TP53 P04637 5/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
TDP1 Q9NUW8 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
SCHEMBL23760315 0.88 KDM4E (1.00) KDM4EALDH1A1HPGDTHRBMEN1
SCHEMBL1494817 0.84 KDM4E (0.79) KDM4EALDH1A1HPGDTHRBMEN1
SCHEMBL22403238 0.83 TP53 (0.75) KDM4EALDH1A1HPGDTHRBMEN1
SCHEMBL22403225 0.82 KDM4E (0.70) KDM4EALDH1A1HPGDTHRBMEN1
SCHEMBL25985895 0.82 POLB (0.75) KDM4EALDH1A1HPGDTHRBMEN1
SCHEMBL1494717 0.81 POLB (0.73) KDM4EALDH1A1HPGDTHRBMEN1
SCHEMBL22403277 0.81 POLB (0.71) KDM4EALDH1A1HPGDTHRBMEN1
SCHEMBL22403283 0.81 POLB (0.71) KDM4EALDH1A1HPGDTHRBMEN1
SCHEMBL1494857 0.80 KDM4E (0.86) KDM4EALDH1A1HPGDTHRBMEN1
SCHEMBL22403265 0.79 KDM4E (0.79) KDM4EALDH1A1HPGDTHRBMEN1

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 8 patents. 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-11701406-B2 Combination of low dose IL-2 and an inhibitor of Treg IL-2R desensitization to treat autoimmune and allergic inflammatory diseases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-18 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-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-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
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 (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-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 KDM4E 2294/4885ALDH1A1 410/4885HPGD 1258/4885
US-11701406-B2 Combination of low dose IL-2 and an inhibitor of Treg IL-2R desensitization to treat autoimmune and allergic inflammatory diseases NEDD8, NAE1, UBE2T KDM4E 457/4885ALDH1A1 2575/4885HPGD 2472/4885

“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.