SCHEMBL1494715

SCHEMBL1494715

COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 1.00
HSD17B10 Q99714 5/20 1.00
ALDH1A1 P00352 5/20 0.70
HPGD P15428 4/20 0.70
CYP1A2 P05177 1/20 0.70
TP53 P04637 6/20 0.69
POLB P06746 4/20 0.69
THRB P10828 3/20 0.69
LMNA P02545 1/20 0.69
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
MAPT P10636 7/20 0.68
TDP1 Q9NUW8 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.66
RECQL P46063 1/20 0.65

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
SCHEMBL1494784 0.87 KDM4E (0.77) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL34462373 0.84 TP53 (0.81) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL1494751 0.82 TP53 (0.86) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL23760315 0.80 KDM4E (1.00) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL1494629 0.80 KDM4E (0.75) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL1494950 0.80 KDM4E (0.83) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL9955795 0.78 KDM4E (0.72) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL10809568 0.78 KDM4E (0.79) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL15101457 0.77 KDM4E (0.67) KDM4EHSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL1494581 0.77 RAB9A (0.68) KDM4EHSD17B10ALDH1A1HPGDCYP1A2

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 7 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-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 (1 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 2294/4885HSD17B10 2807/4885ALDH1A1 410/4885

“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.