SCHEMBL183924

SCHEMBL183924

Cc1ccc2c(N3CC[C@@H](NC(=O)O)C3)nc(-c3ccccc3O)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 6/20 0.56
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
SMAD3 P84022 1/20 0.49
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HIF1A Q16665 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
HSP90AA1 P07900 1/20 0.40
AKT1 P31749 1/20 0.39

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
SCHEMBL1624858 1.00 CHEK2 (0.56) CHEK2KMT2AMEN1SMAD3MAPT
SCHEMBL183925 1.00 CHEK2 (0.56) CHEK2KMT2AMEN1SMAD3MAPT
Hydrochloric Acid SCHEMBL4015004 0.99 CHEK2 (0.55) CHEK2KMT2AMEN1SMAD3MAPT
Hydrochloric Acid SCHEMBL4014997 0.99 CHEK2 (0.55) CHEK2KMT2AMEN1SMAD3MAPT
SCHEMBL1623929 0.94 SMAD3 (0.53) CHEK2KMT2AMEN1SMAD3MAPT
SCHEMBL1623761 0.94 SMAD3 (0.53) CHEK2KMT2AMEN1SMAD3MAPT
SCHEMBL1623765 0.94 SMAD3 (0.53) CHEK2KMT2AMEN1SMAD3MAPT
SCHEMBL1623785 0.94 SMAD3 (0.54) CHEK2KMT2AMEN1SMAD3MAPT
SCHEMBL10284691 0.94 CHEK2 (0.52) CHEK2KMT2AMEN1SMAD3MAPT
SCHEMBL12723124 0.92 CHEK2 (0.51) CHEK2KMT2AMEN1SMAD3MAPT

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-8809353-B2 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-19 US disclosed
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed
US-8158637-B2 Sodium channel moderators; antiarrhythmia agents; analgesics; antiarthritic agents; antiinflammatory agents; antieplipetic agents; psychological disorders; nervous system disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-17 US disclosed
EP-1957482-B1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMA (US) 2012-01-04 EP disclosed
US-7928107-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-19 US disclosed
US-20090312342-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-12-17 US disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 EP disclosed
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-09-11 US disclosed
EP-1957482-A2 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS Vertex Pharmaceuticals, Inc. (US) 2008-08-20 EP disclosed
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 US disclosed
WO-2007058989-A2 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-24 WO disclosed
EP-1784393-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2007-05-16 EP disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US disclosed
WO-2006028904-A9 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2006-06-22 WO disclosed
WO-2006028904-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-16 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 (4 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-20090312342-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 CHEK2 2935/4885KMT2A 2404/4885MEN1 2548/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 CHEK2 2935/4885KMT2A 2404/4885MEN1 2548/4885
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS KCNQ1, KCNQ2, KCNQ5 CHEK2 3091/4885KMT2A 2233/4885MEN1 3006/4885
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels KCNQ1, KCNQ2, KCNQ5 CHEK2 3091/4885KMT2A 2233/4885MEN1 3006/4885

“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.