SCHEMBL183828

SCHEMBL183828

COCCOC(=O)NC1CCN(c2nc(-c3ccccc3O)nc3cc(C)ccc23)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 8/20 0.46
CNR1 P21554 1/20 0.43
CHEK1 O14757 4/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PDE10A Q9Y233 2/20 0.40
SMAD3 P84022 1/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL183827 1.00 CHEK2 (0.46) CHEK2CNR1CHEK1KMT2AMEN1
SCHEMBL183831 1.00 CHEK2 (0.46) CHEK2CNR1CHEK1KMT2AMEN1
Hydrochloric Acid SCHEMBL4979084 0.99 CHEK2 (0.45) CHEK2CNR1CHEK1KMT2AMEN1
Hydrochloric Acid SCHEMBL4979086 0.99 CHEK2 (0.45) CHEK2CNR1CHEK1KMT2AMEN1
SCHEMBL1084982 0.95 CNR1 (0.48) CHEK2CNR1CHEK1KMT2AMEN1
SCHEMBL1084932 0.94 CHEK2 (0.43) CHEK2CNR1CHEK1KMT2AMEN1
SCHEMBL2603696 0.93 CHEK2 (0.47) CHEK2CNR1CHEK1KMT2AMEN1
SCHEMBL2603694 0.92 CHEK2 (0.49) CHEK2CNR1KMT2AMEN1PDE10A
SCHEMBL2734388 0.91 CNR1 (0.43) CHEK2CNR1PDE10AMAPTHIF1A
SCHEMBL2603697 0.89 CHEK2 (0.46) CHEK2CHEK1KMT2AMEN1PDE10A

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 7 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-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
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

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 3091/4885CNR1 498/4885CHEK1 3055/4885
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels KCNQ1, KCNQ2, KCNQ5 CHEK2 3091/4885CNR1 498/4885CHEK1 3055/4885

“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.