SCHEMBL183855

SCHEMBL183855

COCCOC(=O)N[C@@H]1CCN(c2nc(-c3c(O)cccc3F)nc3cc(C)ccc23)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.48
CNR1 P21554 1/20 0.37
PDE10A Q9Y233 2/20 0.37
MDM4 O15151 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
CTNNB1 P35222 2/20 0.34
TCF7L2 Q9NQB0 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
OPRK1 P41145 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CHRM3 P20309 2/20 0.33
KCNH2 Q12809 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
CHEK1 O14757 1/20 0.33
ENPP1 P22413 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
SCHEMBL183854 1.00 CHEK2 (0.48) CHEK2CNR1PDE10AMDM4EGLN1
Hydrochloric Acid SCHEMBL4974592 0.99 CHEK2 (0.47) CHEK2CNR1PDE10AMDM4EGLN1
Hydrochloric Acid SCHEMBL4974598 0.99 CHEK2 (0.47) CHEK2CNR1PDE10AMDM4EGLN1
SCHEMBL2603700 0.93 CHEK2 (0.49) CHEK2PDE10AEGLN1MTNR1AMTNR1B
SCHEMBL2734796 0.93 CHEK2 (0.39) CHEK2CNR1PDE10AMDM4EGLN1
SCHEMBL2603698 0.92 CHEK2 (0.51) CHEK2PDE10AEGLN1CTNNB1TCF7L2
SCHEMBL2603699 0.90 CHEK2 (0.48) CHEK2PDE10AEGLN1OPRK1KCNH2
SCHEMBL184018 0.90 CHEK2 (0.48) CHEK2PDE10AEGLN1OPRK1KCNH2
SCHEMBL184017 0.90 CHEK2 (0.48) CHEK2PDE10AEGLN1OPRK1KCNH2
SCHEMBL2603703 0.89 CHEK2 (0.51) CHEK2CNR1PDE10AKCNH2

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
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
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 3091/4885CNR1 498/4885PDE10A 851/4885
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels KCNQ1, KCNQ2, KCNQ5 CHEK2 3091/4885CNR1 498/4885PDE10A 851/4885

“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.