SCHEMBL183879

SCHEMBL183879

COc1ccccc1-c1nc(Cl)c2ccc(C)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.48
CYP3A4 P08684 10/20 0.48
CYP2D6 P10635 9/20 0.48
ALDH1A1 P00352 8/20 0.48
HSD17B10 Q99714 7/20 0.48
TSHR P16473 7/20 0.48
LMNA P02545 6/20 0.48
USP2 O75604 6/20 0.48
CYP2C19 P33261 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALOX15 P16050 4/20 0.48
MAPK1 P28482 4/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ELANE P08246 1/20 0.45
CLK4 Q9HAZ1 3/20 0.43
DHFR P00374 1/20 0.43

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
SCHEMBL3910814 0.88 ELANE (0.58) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL1084998 0.84 CYP1A2 (0.65) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL183703 0.82 PTGES (0.39) DHPS
SCHEMBL1623051 0.82 DHPS (0.42) CYP1A2LMNATP53DHPSNPC1
SCHEMBL295966 0.81 GRM2 (0.42) ALDH1A1TSHRLMNASMN1; SMN2KMT2A
SCHEMBL183759 0.81 KMT2A (0.52) ALDH1A1HSD17B10TSHRLMNASMN1; SMN2
SCHEMBL6533795 0.81 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL183825 0.80 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL1621274 0.77 THRB (0.52) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10
SCHEMBL2327438 0.77 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10

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 46 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-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-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
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
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-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
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 (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-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 CYP1A2 2466/4885CYP3A4 2278/4885CYP2D6 2211/4885
US-20080167305-A1 QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS KCNQ1, KCNQ2, KCNQ5 CYP1A2 2346/4885CYP3A4 2099/4885CYP2D6 2200/4885

“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.