SCHEMBL1084299

SCHEMBL1084299

CCN(CC)c1nc(-c2ccccc2O)nc2ccc(Br)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.52
MAPT P10636 5/20 0.51
HIF1A Q16665 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ACP1 P24666 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 2/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
EGLN1 Q9GZT9 2/20 0.41
CHEK2 O96017 1/20 0.41
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL1084217 0.86 CYP2D6 (0.50) RXFP1MAPTHIF1AHTTALDH1A1
SCHEMBL1083807 0.84 MAPT (0.67) RXFP1MAPTHIF1AGAAHTT
SCHEMBL1084271 0.79 MAPT (0.55) RXFP1MAPTHIF1AGAAHTT
SCHEMBL1084047 0.78 LMNA (0.50) RXFP1MAPTHIF1AGAAHTT
SCHEMBL1084483 0.78 MAPT (0.51) MAPTHIF1AGAAACP1L3MBTL1
SCHEMBL1084146 0.78 PDE10A (0.47) RXFP1MAPTHIF1AGAAALDH1A1
SCHEMBL1084609 0.77 MAPT (0.50) RXFP1MAPTHIF1AGAAALDH1A1
SCHEMBL1622585 0.77 ALK (0.46) RXFP1MAPTGAAHTTALDH1A1
SCHEMBL1084209 0.76 LMNA (0.53) RXFP1MAPTHIF1AGAAHTT
SCHEMBL4514696 0.76 LMNA (0.61) RXFP1MAPTHIF1AGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20100160316-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
US-20100160316-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US disclosed
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 US 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 (1 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-20100160316-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS KCNN3, KCNN2, CACNA1I RXFP1 3120/4885MAPT 1868/4885HIF1A 4022/4885

“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.