SCHEMBL1084271

SCHEMBL1084271

CCCN(CC)c1nc(-c2ccccc2O)nc2ccc(F)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
LMNA P02545 3/20 0.54
GAA P10253 1/20 0.47
HIF1A Q16665 1/20 0.47
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
NPC1 O15118 1/20 0.44
AGTR1 P30556 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 3/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
ACP1 P24666 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CASR P41180 2/20 0.41
RXFP1 Q9HBX9 1/20 0.39
MAPK1 P28482 2/20 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
SCHEMBL1084047 0.92 LMNA (0.50) MAPTLMNAGAAHIF1AMEN1
SCHEMBL1084214 0.91 MAPT (0.56) MAPTLMNAGAAHIF1AMEN1
SCHEMBL1084609 0.90 MAPT (0.50) MAPTLMNAGAAHIF1AMEN1
SCHEMBL1084573 0.89 MAPT (0.54) MAPTLMNAGAAHIF1AMEN1
SCHEMBL1084209 0.89 LMNA (0.53) MAPTLMNAGAAHIF1AMEN1
SCHEMBL1084540 0.88 MAPT (0.49) MAPTLMNAGAAHIF1AMEN1
SCHEMBL1084146 0.87 PDE10A (0.47) MAPTLMNAGAAHIF1AMEN1
SCHEMBL1084380 0.86 LMNA (0.45) MAPTLMNAGAAHIF1AMEN1
SCHEMBL1084404 0.84 MAPT (0.44) MAPTLMNAGAAHIF1AMEN1
SCHEMBL1084139 0.83 LMNA (0.47) MAPTLMNAMEN1KMT2ATSHR

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 9 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-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 MAPT 1868/4885LMNA 2188/4885GAA 1921/4885

“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.