SCHEMBL450044

SCHEMBL450044

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
KMT2A Q03164 1/20 0.47
TLR9 Q9NR96 1/20 0.47
CXCR3 P49682 6/20 0.46
HTR6 P50406 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3R2 O00459 1/20 0.43
PIK3CG P48736 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL451131 0.89 NPC1 (0.52) CXCR3MAPTRAB9AALDH1A1KCNH2
SCHEMBL450858 0.86 SMN1; SMN2 (0.57) MEN1KMT2ACXCR3MAPK1RAB9A
SCHEMBL447902 0.85 PTGS2 (0.49) MEN1KMT2AMAPK1RAB9AALDH1A1
SCHEMBL450061 0.85 CXCR3 (0.54) MEN1KMT2ACXCR3ALDH1A1PIK3CD
SCHEMBL453737 0.85 SMN1; SMN2 (0.58) MEN1KMT2AHTR6MAPK1RAB9A
SCHEMBL1553362 0.83 KCNH2 (0.44) CXCR3MAPK1RAB9AALDH1A1KCNH2
SCHEMBL452172 0.83 ALDH1A1 (0.61) MEN1KMT2ACXCR3MAPTRAB9A
SCHEMBL1553219 0.82 CXCR3 (0.52) CXCR3
SCHEMBL1553708 0.81 MEN1 (0.50) MEN1USP2KMT2ATLR9CXCR3
SCHEMBL452947 0.81 PIK3CD (0.47) MEN1KMT2AMAPTALDH1A1PIK3CD

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 11 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
EP-1521746-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2005-04-13 EP claimed
WO-2003076418-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-09-18 WO claimed
US-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US disclosed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 US disclosed
EP-1521746-B1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-04-27 EP disclosed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
EP-1521746-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2005-04-13 EP disclosed
WO-2003076418-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-09-18 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-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 MEN1 4424/4885USP2 4055/4885KMT2A 3861/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 MEN1 4424/4885USP2 4055/4885KMT2A 3861/4885

“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.