SCHEMBL183886

SCHEMBL183886

Cc1ccc2c(N3CCC(NC(=O)OCC(C)C)C3)nc(Cl)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.42
PDE10A Q9Y233 2/20 0.40
DRD2 P14416 2/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
HSD11B1 P28845 1/20 0.38
KCNH2 Q12809 1/20 0.38
P2RY12 Q9H244 1/20 0.37
OPRK1 P41145 8/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
AKT1 P31749 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
SCHEMBL183887 1.00 PRKDC (0.42) PRKDCPDE10ADRD2HTR1AHTR2A
SCHEMBL14132435 0.91 ENPP1 (0.42) PDE10ADRD2HTR1AHTR2AHRH4
SCHEMBL2734645 0.88 PDE10A (0.42) PRKDCPDE10AHRH4HRH3HSD11B1
SCHEMBL2603709 0.88 PRKDC (0.42) PRKDCPDE10AHRH4HRH3KCNH2
SCHEMBL183884 0.85 PRKDC (0.47) PRKDCHRH4HRH3KCNH2OPRK1
SCHEMBL183992 0.84 PDE10A (0.47) PRKDCPDE10A
SCHEMBL183991 0.84 PDE10A (0.47) PRKDCPDE10A
SCHEMBL183869 0.84 CHEK2 (0.46) PDE10ADRD2HTR1AHTR2AHSD11B1
SCHEMBL183870 0.84 CHEK2 (0.46) PDE10ADRD2HTR1AHTR2AHSD11B1
SCHEMBL184057 0.84 CHEK2 (0.46) PDE10ADRD2HTR1AHTR2AHSD11B1

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 5 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
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-07-10 US 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 PRKDC 2679/4885PDE10A 851/4885DRD2 1837/4885
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels KCNQ1, KCNQ2, KCNQ5 PRKDC 2679/4885PDE10A 851/4885DRD2 1837/4885

“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.