SCHEMBL183859

SCHEMBL183859

Cc1ccc2c(N3CCC(N)C3)nc(-c3c(O)cccc3F)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.59
HRH4 Q9H3N8 3/20 0.38
MAPT P10636 2/20 0.38
NTRK1 P04629 3/20 0.36
MAP4K1 Q92918 3/20 0.36
IRAK1 P51617 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PRKCI P41743 1/20 0.36
MAT2A P31153 1/20 0.36
SSTR5 P35346 1/20 0.36
SSTR2 P30874 1/20 0.35
SSTR4 P31391 1/20 0.35
KCNH2 Q12809 1/20 0.35
LCK P06239 1/20 0.34
PRKAA1 Q13131 1/20 0.34

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
SCHEMBL183858 1.00 CHEK2 (0.59) CHEK2HRH4MAPTNTRK1MAP4K1
SCHEMBL1622861 0.94 CHEK2 (0.56) CHEK2HRH4MAPTPIM1PIM3
SCHEMBL1623857 0.88 CHEK2 (0.57) CHEK2HRH4MAPTIRAK4PIM1
SCHEMBL1623854 0.88 CHEK2 (0.57) CHEK2HRH4MAPTIRAK4PIM1
SCHEMBL1084592 0.87 CHEK2 (0.57) CHEK2HRH4MAPT
SCHEMBL1084915 0.87 CHEK2 (0.57) CHEK2HRH4MAPT
SCHEMBL1084493 0.87 CHEK2 (0.58) CHEK2HRH4MAPT
SCHEMBL14535760 0.85 CHEK2 (0.53) CHEK2HRH4MAPT
SCHEMBL1623194 0.84 CHEK2 (0.57) CHEK2HRH4MAPTIRAK4KCNH2
SCHEMBL1623522 0.84 CHEK2 (0.53) CHEK2HRH4MAPTIRAK1IRAK4

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 12 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-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 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-7928107-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-19 US disclosed
US-20090312342-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-12-17 US disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 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
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 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 (4 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-20090312342-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 CHEK2 2935/4885HRH4 481/4885MAPT 2508/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 CHEK2 2935/4885HRH4 481/4885MAPT 2508/4885
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS KCNQ1, KCNQ2, KCNQ5 CHEK2 3091/4885HRH4 561/4885MAPT 2332/4885
US-20080221137-A1 Quinazolines useful as modulators of voltage gated ion channels KCNQ1, KCNQ2, KCNQ5 CHEK2 3091/4885HRH4 561/4885MAPT 2332/4885

“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.