Sugi Predict

Sugi Predict / Compounds / SCHEMBL5166433

SCHEMBL5166433

SCHEMBL5166433

COc1ccc(-c2cn(-c3cc4c(=O)n(NS(C)(=O)=O)c(=O)[nH]c4cc3C(F)(F)F)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ PTGS2 P35354 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ TLR2 O60603 1/20 0.33
▸ TLR1 Q15399 1/20 0.33
▸ GLA P06280 1/20 0.32

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
SCHEMBL5167377 0.89 CA12 (0.40) CA12CA9TLR2TLR1
SCHEMBL5469141 0.85 TLR2 (0.36) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL5168784 0.83 CA12 (0.48) CA12CA9
SCHEMBL5166038 0.82 CA12 (0.47) CA12CA9
SCHEMBL5165036 0.82 CA12 (0.46) CA12CA9KMT2AMEN1
SCHEMBL5181433 0.81 CA12 (0.45) CA12CA9
SCHEMBL13685070 0.81 CA12 (0.46) CA12CA9
SCHEMBL5168639 0.80 CA12 (0.48) CA12CA9
SCHEMBL5182301 0.80 CA12 (0.48) CA12CA9
SCHEMBL2597459 0.80 CA12 (0.65) CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773788-B1 Quinazoline derivatives NOVARTIS AG (CH) 2012-11-14 — — EP claimed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 — — US claimed
EP-1773788-B1 Quinazoline derivatives NOVARTIS AG (CH) 2012-11-14 — — EP disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 — — US disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 — — US disclosed
US-8299085-B2 Quinazoline derivatives NOVARTIS AG (CH) 2012-10-30 — — US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 — — US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 — — US disclosed
US-20070208018-A1 Quinazoline Derivatives NOVARTIS AG (CH) 2007-09-06 — — US disclosed
EP-1773788-A2 QUINAZOLINE DERIVATIVES NOVARTIS-PHARMA GMBH (AT) 2007-04-18 — — EP disclosed
WO-2006010591-A2 QUINAZOLINE DERIVATIVES NOVARTIS AG (CH) 2006-02-02 — — 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-20070208018-A1 Quinazoline Derivatives CYP3A5, CYP3A7, CYP3A4 CA12 4138/4885CA9 2807/4885KMT2A 2522/4885

“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.