SCHEMBL5168708

SCHEMBL5168708

COCc1ccc(-c2cn(-c3cc(C(=O)OC)c(NO)cc3C(F)(F)F)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 3/20 0.39
TLR1 Q15399 3/20 0.39
HSP90AA1 P07900 6/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MET P08581 1/20 0.34
MBOAT4 Q96T53 1/20 0.33
NR1H2 P55055 1/20 0.33
AR P10275 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TP53 P04637 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
SCHEMBL5167994 0.85 TLR2 (0.43) TLR2TLR1ALDH1A1KDM4E
SCHEMBL5169366 0.75 CFTR (0.46) TLR2TLR1HSP90AA1ALDH1A1HPGD
SCHEMBL5167600 0.74 TLR2 (0.44) TLR2TLR1ALDH1A1HPGDCASP1
SCHEMBL5165307 0.67 CA12 (0.39) HSP90AA1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL5167410 0.66 CFTR (0.53) TLR2TLR1HSP90AA1ALDH1A1HPGD
SCHEMBL5165199 0.66 CFTR (0.53) TLR2TLR1ALDH1A1HPGDCASP1
SCHEMBL13825554 0.66 RECQL (0.36) ALDH1A1HPGDCASP1HSD17B10KDM4E
SCHEMBL5166699 0.66 CFTR (0.52) TLR2TLR1ALDH1A1HPGDTSHR
SCHEMBL5167327 0.66 SMN1; SMN2 (0.37) TLR2TLR1ALDH1A1L3MBTL1AR
SCHEMBL5165313 0.66 TLR2 (0.39) TLR2TLR1ALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TLR2 3794/4885TLR1 3599/4885HSP90AA1 4325/4885

“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.