SCHEMBL5166152

SCHEMBL5166152

CS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)c(Oc3cccnc3)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.41
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
METAP2 P50579 1/20 0.35
DDR1 Q08345 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PDE4B Q07343 1/20 0.34
IDH2 P48735 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL2389449 0.82 CFTR (0.43) KDM4EALDH1A1HSD17B10DDR1PTGS1
SCHEMBL2390931 0.75 HAVCR2 (0.40) DDR1
SCHEMBL2389227 0.75 CA12 (0.35) DDR1
SCHEMBL2389693 0.74 CA12 (0.36) BRD4DDR1
SCHEMBL2390366 0.73 CA12 (0.36) CYP1A2METAP2DDR1
SCHEMBL2388699 0.73 PARP1 (0.44) DDR1
SCHEMBL2392961 0.73 S1PR1 (0.38) BRD4METAP2PTGS2
SCHEMBL2389629 0.73 CA12 (0.39) DDR1
SCHEMBL2392561 0.73 CA12 (0.34) BRD4DDR1
SCHEMBL2387605 0.72 CA12 (0.36) DDR1

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-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 BRD4 188/4885KDM4E 1450/4885ALDH1A1 460/4885

“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.