SCHEMBL451728

SCHEMBL451728

Cc1ccc(-c2ccc3nc(C(C)N(C)S(=O)(=O)c4ccc(C(C)(C)C)cc4)n(-c4ccc(C)cc4)c(=O)c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.38
CXCR3 P49682 8/20 0.37
PRSS1 P07477 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
HSD11B1 P28845 1/20 0.34
HPD P32754 1/20 0.34
PTGES O14684 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
SCHEMBL451993 0.97 PI4KA (0.40) PI4KACXCR3PRSS1ALDH1A1PIK3CG
SCHEMBL449229 0.96 MEN1 (0.37) PI4KACXCR3PRSS1HPD
SCHEMBL448345 0.94 ALDH1A1 (0.43) PI4KACXCR3ALDH1A1HPDPTGES
SCHEMBL453347 0.94 TRPV1 (0.41) PI4KACXCR3PIK3CDPIK3CAPIK3CG
SCHEMBL448994 0.91 POLB (0.40) PI4KACXCR3POLBALDH1A1PIK3CD
SCHEMBL451506 0.91 CXCR3 (0.46) CXCR3PRSS1ALDH1A1
SCHEMBL448991 0.91 CXCR3 (0.39) CXCR3PRSS1POLBALDH1A1HSD11B1
SCHEMBL451765 0.91 CXCR3 (0.38) PI4KACXCR3PRSS1ALDH1A1PIK3CG
SCHEMBL448444 0.91 CXCR3 (0.38) PI4KACXCR3ALDH1A1HPD
SCHEMBL450771 0.91 AVPR1B (0.40) PI4KAALDH1A1PIK3CG

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 PI4KA 901/4885CXCR3 741/4885PRSS1 3817/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 PI4KA 901/4885CXCR3 741/4885PRSS1 3817/4885

“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.