SCHEMBL3510327

SCHEMBL3510327

Cc1nc(-c2cccc(-c3cccc(S(C)(=O)=O)c3)c2)c2cccc(C(F)(F)F)c2n1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.61
NR1H3 Q13133 16/20 0.61
RXRA P19793 1/20 0.47

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
SCHEMBL3631463 0.94 NR1H2 (0.55) NR1H2NR1H3RXRA
SCHEMBL3511764 0.92 NR1H2 (0.62) NR1H2NR1H3
SCHEMBL3509019 0.88 NR1H2 (0.60) NR1H2NR1H3RXRA
SCHEMBL3505942 0.88 NR1H2 (0.64) NR1H2NR1H3RXRA
SCHEMBL3509369 0.86 NR1H2 (0.58) NR1H2NR1H3RXRA
SCHEMBL3507737 0.85 NR1H2 (0.64) NR1H2NR1H3RXRA
SCHEMBL3507401 0.85 NR1H2 (0.61) NR1H2NR1H3RXRA
SCHEMBL3507120 0.84 NR1H2 (0.62) NR1H2NR1H3RXRA
SCHEMBL3505275 0.84 NR1H2 (0.55) NR1H2NR1H3RXRA
SCHEMBL3507565 0.82 NR1H2 (0.68) NR1H2NR1H3RXRA

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-20100273816-A1 Quinazoline Compounds WYETH LLC 2010-10-28 US claimed
CN-101679311-A Quinazoline compound WYETH CORP 2010-03-24 CN 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
US-20100184786-A1 Polar Quinazolines WYETH LLC (US) 2010-07-22 US disclosed
US-20100184786-A1 Polar Quinazolines WYETH LLC (US) 2010-07-22 US disclosed
CN-101679311-A Quinazoline compound WYETH CORP 2010-03-24 CN 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-20100184786-A1 Polar Quinazolines NR1H3, NR1H2, NR1I3 NR1H2 2/4885NR1H3 1/4885RXRA 11/4885
US-20100273816-A1 Quinazoline Compounds NR1H3, NR1H2, NR1I3 NR1H2 2/4885NR1H3 1/4885RXRA 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.