SCHEMBL1623737

SCHEMBL1623737

COc1cccc(C)c1C(=O)Nc1cc(C)ccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50
IMPDH2 P12268 1/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
KCNMA1 Q12791 1/20 0.48
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR6 P46095 1/20 0.45
POLB P06746 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CFTR P13569 1/20 0.44
KCNK3 O14649 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
SCHEMBL183722 0.88 POLB (0.50) IMPDH2KMT2AMEN1KCNMA1MAPT
SCHEMBL183830 0.84 KCNMA1 (0.68) KMT2AMEN1KCNMA1MAPTALDH1A1
SCHEMBL404755 0.76 HPGD (0.64) IMPDH2KMT2AMEN1MAPTALDH1A1
SCHEMBL23048315 0.74 KCNMA1 (0.64) KMT2AMEN1KCNMA1MAPTALDH1A1
SCHEMBL22979249 0.73 GAA (0.51) IMPDH2KMT2AMEN1KCNMA1MAPT
SCHEMBL21311190 0.72 KMT2A (0.60) TAS1R3TAS1R1TAS1R2KMT2AMEN1
SCHEMBL15031211 0.72 KCNMA1 (0.66) KMT2AMEN1KCNMA1MAPTALDH1A1
SCHEMBL13481166 0.72 ALDH1A1 (0.50) IMPDH2KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL1310066 0.71 KMT2A (0.64) KMT2AMEN1KCNMA1MAPTALDH1A1
SCHEMBL13756114 0.70 JAK3 (0.46) IMPDH2KMT2AMEN1MAPTALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7928107-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-19 US disclosed
US-7928107-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-19 US 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
US-20090312342-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-12-17 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
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 EP 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

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-20090312342-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 TAS1R3 990/4885TAS1R1 1523/4885TAS1R2 974/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 TAS1R3 990/4885TAS1R1 1523/4885TAS1R2 974/4885

“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.