SCHEMBL1623478

SCHEMBL1623478

O=C(OCC1CCCCO1)N1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HCRTR1 O43613 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SMAD3 P84022 1/20 0.43
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHEK2 O96017 3/20 0.40
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDGFRB P09619 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL12721492 0.84 MEN1 (0.43) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL12723274 0.84 MEN1 (0.43) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL12721185 0.84 MEN1 (0.45) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL1084788 0.83 MEN1 (0.55) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL1084205 0.81 SMAD3 (0.48) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL13079932 0.80 ALDH1A1 (0.37) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL1623762 0.79 MEN1 (0.43) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL1622333 0.79 MEN1 (0.43) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL1622329 0.79 MEN1 (0.43) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL1622771 0.79 CHEK2 (0.52) MEN1KMT2AMAPTMAPK1ALDH1A1

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 MEN1 2548/4885KMT2A 2404/4885MAPT 2508/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 MEN1 2548/4885KMT2A 2404/4885MAPT 2508/4885

“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.