SCHEMBL449232

SCHEMBL449232

Cc1cc(C)cc(-n2c(C(C)N(C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.46
CXCR3 P49682 13/20 0.40
C1R P00736 1/20 0.37
TDO2 P48775 1/20 0.36
IDO2 Q6ZQW0 1/20 0.36

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
SCHEMBL450671 0.92 CXCR3 (0.48) CXCR3
SCHEMBL451363 0.92 CXCR3 (0.48) PRSS1CXCR3C1R
SCHEMBL451511 0.91 PRSS1 (0.49) PRSS1CXCR3
SCHEMBL449628 0.91 PRSS1 (0.49) PRSS1CXCR3
SCHEMBL454301 0.91 CXCR3 (0.47) PRSS1CXCR3C1RTDO2IDO2
SCHEMBL452526 0.91 CXCR3 (0.44) CXCR3TDO2IDO2
SCHEMBL448940 0.90 CXCR3 (0.45) PRSS1CXCR3C1RTDO2IDO2
SCHEMBL451506 0.89 CXCR3 (0.46) PRSS1CXCR3C1R
SCHEMBL451961 0.89 HTR6 (0.45) PRSS1CXCR3C1RTDO2IDO2
SCHEMBL452088 0.89 CXCR3 (0.41) PRSS1CXCR3C1RTDO2IDO2

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 PRSS1 3817/4885CXCR3 741/4885C1R 4822/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 PRSS1 3817/4885CXCR3 741/4885C1R 4822/4885

“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.