SCHEMBL184057

SCHEMBL184057

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.46
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PDE10A Q9Y233 2/20 0.40
SMAD3 P84022 1/20 0.40
DRD2 P14416 2/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HIF1A Q16665 1/20 0.36
TP53 P04637 1/20 0.36
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL183870 1.00 CHEK2 (0.46) CHEK2KMT2AMEN1PDE10ASMAD3
SCHEMBL183869 1.00 CHEK2 (0.46) CHEK2KMT2AMEN1PDE10ASMAD3
Hydrochloric Acid SCHEMBL4993570 0.99 CHEK2 (0.45) CHEK2KMT2AMEN1PDE10ASMAD3
Hydrochloric Acid SCHEMBL4993576 0.99 CHEK2 (0.45) CHEK2KMT2AMEN1PDE10ASMAD3
Sulfuric Acid SCHEMBL183899 0.97 CHEK2 (0.44) CHEK2KMT2AMEN1PDE10ASMAD3
Sulfuric Acid SCHEMBL183900 0.97 CHEK2 (0.44) CHEK2KMT2AMEN1PDE10ASMAD3
SCHEMBL12723492 0.95 CHEK2 (0.43) CHEK2KMT2AMEN1PDE10ASMAD3
SCHEMBL12721589 0.95 CHEK2 (0.43) CHEK2KMT2AMEN1PDE10ASMAD3
SCHEMBL937815 0.95 KMT2A (0.43) CHEK2KMT2AMEN1SMAD3DRD2
SCHEMBL1084575 0.94 KMT2A (0.41) CHEK2KMT2AMEN1SMAD3DRD2

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-8809353-B2 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-19 US disclosed
US-8809353-B2 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-19 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
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
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-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-09-11 US disclosed
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-09-11 US 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
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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.