SCHEMBL453347

SCHEMBL453347

Cc1ccc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)nc3ccc(-c4ccc(C#N)cc4)cc3c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
PI4KA P42356 2/20 0.39
PIK3CG P48736 1/20 0.39
CXCR3 P49682 11/20 0.39
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
S1PR1 P21453 1/20 0.34
KIF11 P52732 1/20 0.34
C1R P00736 1/20 0.34
STAT3 P40763 1/20 0.34

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
SCHEMBL451728 0.94 PI4KA (0.38) PI4KAPIK3CGCXCR3PIK3CDPIK3CA
SCHEMBL451993 0.91 PI4KA (0.40) PI4KAPIK3CGCXCR3
SCHEMBL449229 0.90 MEN1 (0.37) PI4KACXCR3
SCHEMBL452382 0.89 CXCR3 (0.49) TRPV1CXCR3C1R
SCHEMBL448345 0.88 ALDH1A1 (0.43) PI4KACXCR3
SCHEMBL448553 0.86 CXCR3 (0.51) TRPV1CXCR3C1R
SCHEMBL448994 0.85 POLB (0.40) PI4KACXCR3PIK3CDPIK3CASTAT3
SCHEMBL448991 0.85 CXCR3 (0.39) TRPV1CXCR3
SCHEMBL451506 0.85 CXCR3 (0.46) CXCR3C1R
SCHEMBL451765 0.85 CXCR3 (0.38) PI4KAPIK3CGCXCR3

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-8748440-B2 Quinazolinone modulators of nuclear receptors EXELIXIS, INC. (US) 2014-06-10 US claimed
US-20120064025-A1 Quinazolinone Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2012-03-15 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-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

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 TRPV1 1252/4885PI4KA 901/4885PIK3CG 2175/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 TRPV1 1252/4885PI4KA 901/4885PIK3CG 2175/4885

“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.