SCHEMBL1623334

SCHEMBL1623334

COc1ccccc1C(=O)c1c(N)cc(Br)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RORC P51449 3/20 0.43
RORB Q92753 3/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CTSD P07339 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
STS P08842 1/20 0.40
HTT P42858 2/20 0.40
CHEK2 O96017 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL5504429 0.84 LMNA (0.49) MAPTLMNAALOX15HSD17B10RORC
SCHEMBL4710844 0.80 MAPT (0.45) MAPTALOX15HSD17B10HTTKMT2A
SCHEMBL29423358 0.74 IRAK4 (0.63) MAPTLMNANPC1RAB9ACTSD
SCHEMBL264288 0.74 IRAK4 (0.63) MAPTLMNANPC1RAB9ACTSD
SCHEMBL4881322 0.73 IRAK4 (0.61) MAPTLMNANPC1RAB9ACTSD
Hydrochloric Acid SCHEMBL4374712 0.73 IRAK4 (0.61) MAPTLMNANPC1RAB9ACTSD
SCHEMBL31174576 0.73 IRAK4 (0.61) MAPTLMNANPC1RAB9ACTSD
Hydrochloric Acid SCHEMBL3144924 0.73 IRAK4 (0.61) MAPTLMNANPC1RAB9ACTSD
SCHEMBL31174577 0.73 IRAK4 (0.61) MAPTLMNANPC1RAB9ACTSD
Hydrochloric Acid SCHEMBL408014 0.73 IRAK4 (0.61) MAPTLMNANPC1RAB9ACTSD

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 8 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-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
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 MAPT 2508/4885LMNA 2467/4885ALOX15 3781/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 MAPT 2508/4885LMNA 2467/4885ALOX15 3781/4885

“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.