SCHEMBL3507787

SCHEMBL3507787

CS(=O)(=O)c1cccc(COc2ccc(Cl)c(-c3ncnc4c(C(F)(F)F)cccc34)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 18/20 0.46
NR1H2 P55055 17/20 0.46
RXRA P19793 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL3507031 0.90 NR1H3 (0.46) NR1H3NR1H2RXRACYP4F2CYP4A11
SCHEMBL3507547 0.90 MEN1 (0.48) NR1H3NR1H2MEN1KMT2ARXFP1
SCHEMBL3507588 0.88 NR1H3 (0.46) NR1H3NR1H2RXRACYP4F2CYP4A11
SCHEMBL3505406 0.87 NR1H2 (0.60) NR1H3NR1H2RXRA
SCHEMBL3508932 0.85 NR1H3 (0.56) NR1H3NR1H2RXRA
SCHEMBL3506261 0.84 MEN1 (0.46) NR1H3NR1H2MEN1KMT2ARXFP1
SCHEMBL4014198 0.83 NR1H3 (0.47) NR1H3NR1H2RXRACYP4F2CYP4A11
SCHEMBL3506329 0.82 NR1H2 (0.60) NR1H3NR1H2RXRA
SCHEMBL3510822 0.81 NR1H2 (0.60) NR1H3NR1H2RXRA
SCHEMBL3508419 0.80 NR1H2 (0.57) NR1H3NR1H2RXRA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273816-A1 Quinazoline Compounds WYETH LLC 2010-10-28 US claimed
EP-2142517-A2 QUINAZOLINE COMPOUNDS Wyeth (US) 2010-01-13 EP claimed
WO-2009020683-A2 QUINAZOLINE COMPOUNDS WYETH (US) 2009-02-12 WO claimed
US-20100273816-A1 Quinazoline Compounds WYETH LLC 2010-10-28 US disclosed
EP-2142517-A2 QUINAZOLINE COMPOUNDS Wyeth (US) 2010-01-13 EP disclosed
WO-2009020683-A2 QUINAZOLINE COMPOUNDS WYETH (US) 2009-02-12 WO 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 (1 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-20100273816-A1 Quinazoline Compounds NR1H3, NR1H2, NR1I3 NR1H3 1/4885NR1H2 2/4885RXRA 7/4885

“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.