SCHEMBL1635166

SCHEMBL1635166

COc1cccc2c(C)nc(Cl)nc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.57
ALDH1A1 P00352 8/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
TNKS O95271 2/20 0.46
TNKS2 Q9H2K2 2/20 0.46
PARP2 Q9UGN5 1/20 0.46
NQO2 P16083 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAD52 P43351 1/20 0.45
PARP1 P09874 1/20 0.43

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
SCHEMBL30013215 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1353177 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL28049580 0.83 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL13313196 0.83 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL8899462 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL15268291 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL1635171 0.79 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL13783331 0.78 RAD52 (0.51) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL29417341 0.78 NR4A2 (0.51) MEN1MAPTKMT2ANPC1RAD52
SCHEMBL14843478 0.78 NR4A2 (0.51) MEN1MAPTKMT2ANPC1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024003535-A2 COMPOUNDS UNIVERSITY OF DUNDEE (GB) 2024-01-04 WO disclosed
WO-2013050527-A1 QUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-04-11 WO disclosed
WO-2013050527-A1 QUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-04-11 WO disclosed
US-20110288082-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-11-24 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 US disclosed
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-03-06 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 WO disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 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-20110288082-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF THE TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE VCP, PSMG3, PSMB3 KDM4E 3662/4885ALDH1A1 3746/4885HPGD 3319/4885
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 KDM4E 1007/4885ALDH1A1 2679/4885HPGD 969/4885

“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.