SCHEMBL450875

SCHEMBL450875

CCOC(=O)COc1ccc(-n2c(C(C)NCS(=O)(=O)c3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 11/20 0.43
ACKR3 P25106 2/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
METAP1 P53582 1/20 0.39

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
SCHEMBL453921 0.90 MEN1 (0.36) CXCR3MAPTATM
SCHEMBL450876 0.84 CXCR3 (0.48) CXCR3
SCHEMBL452941 0.84 MAPK1 (0.48) CXCR3MAPK1
SCHEMBL454415 0.82 MAPK1 (0.46) CXCR3MAPK1
SCHEMBL452827 0.82 POLB (0.49) CXCR3LMNAMAPK1
SCHEMBL448696 0.79 PDE10A (0.39) CXCR3MAPK1
SCHEMBL451929 0.79 POLB (0.42) CXCR3MAPTLMNA
SCHEMBL12659739 0.75 CXCR3 (0.50) CXCR3KCNH2HRH3MAPTLMNA
SCHEMBL453929 0.75 PTGES (0.39) MAPT
SCHEMBL453920 0.74 CXCR3 (0.40) CXCR3MAPT

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 CXCR3 741/4885ACKR3 1108/4885KCNH2 4581/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 CXCR3 741/4885ACKR3 1108/4885KCNH2 4581/4885

“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.