SCHEMBL183953

SCHEMBL183953

COc1ccccc1-c1nc2cc(C)ccc2c(=O)[nH]1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GUSB P08236 5/20 0.59
CYP1A1 P04798 2/20 0.49
CYP1B1 Q16678 2/20 0.49
CYP1A2 P05177 1/20 0.49
TNKS O95271 2/20 0.49
PARP1 P09874 2/20 0.49
TNKS2 Q9H2K2 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
PDE5A O76074 2/20 0.48
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48

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
SCHEMBL29740691 0.85 GUSB (0.78) GUSBCYP1A1CYP1B1CYP1A2TNKS
SCHEMBL1084872 0.85 GUSB (0.78) GUSBCYP1A1CYP1B1CYP1A2TNKS
SCHEMBL938466 0.83 GUSB (0.55) GUSBCYP1A1CYP1B1CYP1A2TNKS
SCHEMBL295717 0.83 GUSB (0.48) GUSBCYP1A1CYP1B1CYP1A2TNKS
SCHEMBL1623275 0.82 TNKS (0.50) GUSBCYP1A1CYP1B1CYP1A2TNKS
SCHEMBL296062 0.82 GUSB (0.70) GUSBCYP1A1CYP1B1CYP1A2TNKS
SCHEMBL939999 0.81 CFTR (0.46) GUSBCYP1A2NPC1RAB9A
SCHEMBL182563 0.81 TNKS (0.48) GUSBCYP1A1CYP1B1CYP1A2TNKS
SCHEMBL183430 0.80 GUSB (0.59) GUSBCYP1A1CYP1B1CYP1A2TNKS
SCHEMBL17786634 0.79 GUSB (0.58) GUSBCYP1A1CYP1B1CYP1A2TNKS

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 55 patents — showing the first 20. 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-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 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
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
WO-2007058989-A2 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-24 WO disclosed
EP-1784393-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2007-05-16 EP disclosed
US-20060217377-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-09-28 US disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US disclosed
WO-2006028904-A9 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2006-06-22 WO disclosed
WO-2006028904-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-16 WO disclosed
US-20040248890-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2004-12-09 US disclosed
WO-2004078733-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-09-16 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 (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-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 GUSB 3959/4885CYP1A1 3297/4885CYP1B1 3679/4885
US-20040248890-A1 Quinazolines useful as modulators of ion channels KCNN3, KCNN2, CACNA1I GUSB 4306/4885CYP1A1 3259/4885CYP1B1 3757/4885
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS KCNQ1, KCNQ2, KCNQ5 GUSB 3983/4885CYP1A1 3067/4885CYP1B1 3419/4885
US-20060217377-A1 Quinazolines useful as modulators of ion channels KCNN3, KCNN2, CACNA1I GUSB 4306/4885CYP1A1 3259/4885CYP1B1 3757/4885

“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.