SCHEMBL1553362

SCHEMBL1553362

CNC(C)c1nc2ccccc2c(=O)n1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PDE7A Q13946 1/20 0.44
PDE7B Q9NP56 1/20 0.44
PIK3CD O00329 2/20 0.43
PIK3R2 O00459 1/20 0.43
PIK3CG P48736 1/20 0.43
CXCR3 P49682 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.42
PIK3R1 P27986 1/20 0.41

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
SCHEMBL1553219 0.89 CXCR3 (0.52) CXCR3
SCHEMBL451131 0.89 NPC1 (0.52) KCNH2HRH3PDE7APDE7BPIK3CD
SCHEMBL450858 0.86 SMN1; SMN2 (0.57) CXCR3SMN1; SMN2MAPK1RAB9AALDH1A1
SCHEMBL450061 0.85 CXCR3 (0.54) PIK3CDPIK3CGCXCR3SMN1; SMN2ALDH1A1
SCHEMBL453737 0.85 SMN1; SMN2 (0.58) KCNH2HRH3PIK3CDPIK3R2PIK3CG
SCHEMBL447902 0.85 PTGS2 (0.49) KCNH2HRH3PIK3CDPIK3R2PIK3CG
SCHEMBL452172 0.83 ALDH1A1 (0.61) KCNH2HRH3CXCR3SMN1; SMN2RAB9A
SCHEMBL450044 0.83 MEN1 (0.47) KCNH2HRH3PIK3CDPIK3R2PIK3CG
SCHEMBL1553760 0.82 CXCR3 (0.54) KCNH2HRH3PIK3CGCXCR3RAB9A
SCHEMBL1553360 0.81 MAPK1 (0.46) KCNH2HRH3PDE7APDE7BPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US claimed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP claimed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US claimed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US disclosed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US 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-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 KCNH2 4581/4885HRH3 886/4885PDE7A 227/4885

“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.