SCHEMBL1084262

SCHEMBL1084262

CN(C)c1nc(-c2ccccc2O)nc2cc(Cl)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.50
TSHR P16473 7/20 0.50
CYP1A2 P05177 6/20 0.50
CLK4 Q9HAZ1 3/20 0.50
CYP2C19 P33261 3/20 0.50
MAPK1 P28482 3/20 0.50
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 4/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 2/20 0.47
USP2 O75604 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALK Q9UM73 1/20 0.46
CYP2C9 P11712 3/20 0.46
KMT2A Q03164 5/20 0.46
CHEK2 O96017 1/20 0.46
MEN1 O00255 4/20 0.43
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42

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
SCHEMBL1084522 0.88 TSHR (0.43) CYP2D6TSHRCYP1A2CLK4CYP2C19
SCHEMBL1084483 0.86 MAPT (0.51) TSHRLMNATP53ALKKMT2A
SCHEMBL1084647 0.85 CYP2D6 (0.51) CYP2D6TSHRCYP1A2CLK4CYP2C19
SCHEMBL1084260 0.85 CYP2D6 (0.55) CYP2D6TSHRCYP1A2CLK4CYP2C19
SCHEMBL1084482 0.85 TSHR (0.43) CYP2D6TSHRCYP1A2CLK4CYP2C19
SCHEMBL1084480 0.84 TSHR (0.53) CYP2D6TSHRCYP1A2CLK4CYP2C19
SCHEMBL1084334 0.84 CYP2D6 (0.57) CYP2D6TSHRCYP1A2CLK4CYP2C19
SCHEMBL1084031 0.84 CYP1A2 (0.50) CYP2D6TSHRCYP1A2CLK4CYP2C19
SCHEMBL1083829 0.83 CYP2D6 (0.70) CYP2D6TSHRCYP1A2CLK4CYP2C19
SCHEMBL1084803 0.82 LMNA (0.54) TSHRMAPK1ALDH1A1LMNAALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US claimed
US-20100160316-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-24 US claimed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 US claimed
US-20060217377-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-09-28 US claimed
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-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-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
US-20060217377-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-09-28 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 (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-20100160316-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS KCNN3, KCNN2, CACNA1I CYP2D6 2468/4885TSHR 3915/4885CYP1A2 2515/4885
US-20060217377-A1 Quinazolines useful as modulators of ion channels KCNN3, KCNN2, CACNA1I CYP2D6 2468/4885TSHR 3915/4885CYP1A2 2515/4885

“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.