SCHEMBL1805587

SCHEMBL1805587

CNS(=O)(=O)c1cc(N)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.41
FEN1 P39748 5/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.38
HTR6 P50406 1/20 0.38
KIF11 P52732 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37

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
SCHEMBL31195244 0.85 L3MBTL1 (0.43) ALOX5APFEN1LMNAALDH1A1L3MBTL1
SCHEMBL686390 0.85 L3MBTL1 (0.43) ALOX5APFEN1LMNAALDH1A1L3MBTL1
SCHEMBL10153817 0.81 SMN1; SMN2 (0.48) LMNAALDH1A1KMT2A
SCHEMBL26567167 0.79 CA12 (0.52) LMNAALDH1A1CNR1CA12CA1
SCHEMBL29626631 0.79 LMNA (0.65) LMNAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL26413808 0.79 GAA (0.48) LMNAALDH1A1
SCHEMBL328220 0.79 LMNA (0.65) LMNAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3451784 0.79 L3MBTL1 (0.57) ALOX5APFEN1ALDH1A1L3MBTL1MEN1
SCHEMBL25759480 0.78 MEN1 (0.47) MEN1KMT2A
SCHEMBL19576871 0.78 LMNA (0.41) LMNAALDH1A1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same OPTIKIRA LLC (US) 2023-10-19 US disclosed
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
US-8859571-B2 Quinazoline compounds GLAXOSMITHKLINE LLC (US) 2014-10-14 US disclosed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP disclosed
EP-2501233-B1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2014-09-24 EP disclosed
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
US-20120329784-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-12-27 US disclosed
CN-102791131-A Compounds and methods GLAXOSMITHKLINE LLC 2012-11-21 CN disclosed
CN-102711474-A Quinazoline compounds GLAXOSMITHKLINE LLC 2012-10-03 CN disclosed
EP-2501233-A1 QUINAZOLINE COMPOUNDS GlaxoSmithKline LLC (US) 2012-09-26 EP disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
US-20120220588-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC 2012-08-30 US disclosed
WO-2011088027-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-07-21 WO disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011056740-A1 QUINAZOLINE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-12 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 (3 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-20120329784-A1 COMPOUNDS AND METHODS RB1, DHFR, NQO1 ALOX5AP 2917/4885FEN1 2343/4885LMNA 2524/4885
US-20120220588-A1 QUINAZOLINE COMPOUNDS NQO2, PRMT7, QDPR ALOX5AP 4671/4885FEN1 3355/4885LMNA 3022/4885
US-20230331719-A1 Pyrazolopyridine Compounds and Methods of Inhibiting IRE1 Using Same XBP1, ERN1, ERN2 ALOX5AP 2504/4885FEN1 434/4885LMNA 1309/4885

“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.