SCHEMBL448994

SCHEMBL448994

COC(=O)c1ccc(-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 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PI4KA P42356 1/20 0.38
STAT3 P40763 1/20 0.37
CYP2C9 P11712 1/20 0.36
CXCR3 P49682 5/20 0.36
HPD P32754 2/20 0.36
ATM Q13315 1/20 0.35
PTGES O14684 1/20 0.34
RARG P13631 1/20 0.34
RXRA P19793 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
SCHEMBL451873 0.94 PTPN2 (0.39) POLBMAPTALDH1A1KDM4ELMNA
SCHEMBL451728 0.91 PI4KA (0.38) POLBPIK3CDPIK3CAMTORALDH1A1
SCHEMBL452826 0.89 POLB (0.50) POLBALDH1A1CXCR3
SCHEMBL448345 0.89 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2PI4KACXCR3
SCHEMBL451993 0.89 PI4KA (0.40) ALDH1A1PI4KACXCR3
SCHEMBL449229 0.88 MEN1 (0.37) PI4KACXCR3HPD
SCHEMBL453928 0.87 CXCR3 (0.40) MAPTALDH1A1LMNASMN1; SMN2CXCR3
SCHEMBL448444 0.87 CXCR3 (0.38) ALDH1A1PI4KACXCR3HPDRARG
SCHEMBL451928 0.86 CXCR3 (0.43) POLBALDH1A1KDM4ELMNACXCR3
SCHEMBL450771 0.86 AVPR1B (0.40) ALDH1A1LMNASMN1; SMN2PI4KA

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 POLB 3961/4885PIK3CD 1577/4885PIK3CA 1716/4885
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 POLB 3961/4885PIK3CD 1577/4885PIK3CA 1716/4885

“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.