SCHEMBL183991

SCHEMBL183991

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.47
SUV39H2 Q9H5I1 10/20 0.45
PRKDC P78527 2/20 0.43
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
SYK P43405 1/20 0.43
MAP4K4 O95819 2/20 0.43
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42

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
SCHEMBL183992 1.00 PDE10A (0.47) PDE10ASUV39H2PRKDCJAK3BTK
SCHEMBL4019288 0.94 CNR1 (0.46) PDE10ASUV39H2CKS1BSKP1SKP2
SCHEMBL2603709 0.88 PRKDC (0.42) PDE10ASUV39H2PRKDC
SCHEMBL30377235 0.87 PDE10A (0.56) PDE10ASUV39H2JAK3BTKMAP4K4
SCHEMBL17628044 0.87 PDE10A (0.56) PDE10ASUV39H2JAK3BTKMAP4K4
SCHEMBL17628041 0.87 PDE10A (0.56) PDE10ASUV39H2JAK3BTKMAP4K4
SCHEMBL183884 0.87 PRKDC (0.47) PRKDC
SCHEMBL29647978 0.87 PDE10A (0.44) PDE10ASUV39H2PRKDCJAK3BTK
SCHEMBL29648048 0.87 PDE10A (0.44) PDE10ASUV39H2PRKDCJAK3BTK
SCHEMBL2734645 0.85 PDE10A (0.42) PDE10APRKDC

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 PDE10A 851/4885SUV39H2 1677/4885PRKDC 2679/4885
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels KCNQ1, KCNQ2, KCNQ5 PDE10A 851/4885SUV39H2 1677/4885PRKDC 2679/4885

“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.