SCHEMBL1084483

SCHEMBL1084483

CCN(CC)c1nc(-c2ccccc2O)nc2cc(Cl)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
GAA P10253 1/20 0.51
HIF1A Q16665 1/20 0.51
ACP1 P24666 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.44
ALK Q9UM73 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
TSHR P16473 3/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHEK2 O96017 1/20 0.41
LATS1 O95835 1/20 0.39
LATS2 Q9NRM7 1/20 0.39
CASR P41180 1/20 0.39
CNR1 P21554 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
SCHEMBL1084203 0.90 MEN1 (0.53) MAPTGAAHIF1AACP1L3MBTL1
SCHEMBL1084255 0.89 LMNA (0.47) MAPTGAAHIF1AACP1L3MBTL1
SCHEMBL1084803 0.89 LMNA (0.54) MAPTGAAHIF1ALMNAALK
SCHEMBL1083973 0.88 MAPT (0.41) MAPTGAAHIF1AACP1L3MBTL1
SCHEMBL1084262 0.86 CYP2D6 (0.50) MAPTHIF1ALMNAALKKMT2A
SCHEMBL1084908 0.86 MEN1 (0.41) MAPTGAAHIF1AACP1L3MBTL1
SCHEMBL1084090 0.85 LMNA (0.61) MAPTGAAHIF1AACP1L3MBTL1
SCHEMBL1083807 0.84 MAPT (0.67) MAPTGAAHIF1AACP1L3MBTL1
SCHEMBL1083921 0.83 MAPT (0.48) MAPTGAAHIF1AACP1LMNA
SCHEMBL1084522 0.82 TSHR (0.43) MAPTGAAHIF1AL3MBTL1LMNA

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-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

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 1868/4885GAA 1921/4885HIF1A 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.