SCHEMBL1623453

SCHEMBL1623453

Cc1ccc2c(N3CCN(C(=O)OCc4ccccc4)CC3CO)nc(-c3ccccc3O)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
CHEK2 O96017 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
SMAD3 P84022 1/20 0.38
ENPP2 Q13822 3/20 0.37
GFER P55789 1/20 0.37
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
SLC29A1 Q99808 1/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
ATM Q13315 1/20 0.35
OPRK1 P41145 1/20 0.35
PPARG P37231 1/20 0.35
NPC1 O15118 1/20 0.35

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
Hydrochloric Acid SCHEMBL1622253 0.99 MAPT (0.39) MAPTL3MBTL1ALDH1A1TSHRCHEK2
SCHEMBL1621492 0.89 CHEK2 (0.39) MAPTL3MBTL1ALDH1A1TSHRCHEK2
SCHEMBL5501187 0.88 ALDH1A1 (0.38) MAPTL3MBTL1ALDH1A1TSHRCHEK2
SCHEMBL1084478 0.85 ALDH1A1 (0.53) MAPTL3MBTL1ALDH1A1TSHRCHEK2
SCHEMBL1623937 0.83 GPR119 (0.37) MAPTL3MBTL1ALDH1A1TSHRCHEK2
SCHEMBL12720942 0.83 GPR119 (0.37) MAPTL3MBTL1ALDH1A1TSHRCHEK2
SCHEMBL1623933 0.83 GPR119 (0.37) MAPTL3MBTL1ALDH1A1TSHRCHEK2
SCHEMBL1623021 0.81 SMAD3 (0.38) MAPTL3MBTL1ALDH1A1TSHRCHEK2
SCHEMBL1623016 0.81 SMAD3 (0.38) MAPTL3MBTL1ALDH1A1TSHRCHEK2
SCHEMBL1622546 0.80 MEN1 (0.48) MAPTL3MBTL1ALDH1A1TSHRCHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101068794-B Quinazolines useful as modulators of ion channels VERTEX PHARMA 2012-12-19 CN 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-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
CN-101068794-A Quinazolines useful as modulators of ion channels VERTEX PHARMA (US) 2007-11-07 CN 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 MAPT 2508/4885L3MBTL1 4028/4885ALDH1A1 2907/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 MAPT 2508/4885L3MBTL1 4028/4885ALDH1A1 2907/4885

“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.