Sugi Predict

Sugi Predict / Compounds / SCHEMBL939175

SCHEMBL939175

SCHEMBL939175

CN(C)c1nc(-c2cc(N3CCOCC3)ccc2O)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 9/20 0.47
▸ CYP2D6 P10635 7/20 0.47
▸ MAPK1 P28482 5/20 0.47
▸ TSHR P16473 5/20 0.47
▸ CLK4 Q9HAZ1 5/20 0.47
▸ CYP2C19 P33261 4/20 0.47
▸ CYP3A4 P08684 5/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ MAPT P10636 4/20 0.47
▸ ALOX15 P16050 4/20 0.47
▸ USP2 O75604 4/20 0.47
▸ CYP2C9 P11712 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ AHR P35869 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.46

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
SCHEMBL937503 0.87 MAPT (0.52) CYP1A2CYP2D6MAPK1TSHRCLK4
SCHEMBL940040 0.85 CYP1A2 (0.60) CYP1A2CYP2D6MAPK1TSHRCLK4
SCHEMBL1084436 0.79 MAPT (0.48) CYP1A2CYP2D6MAPK1TSHRCLK4
SCHEMBL965629 0.78 CYP1A2 (0.50) CYP1A2CYP2D6MAPK1TSHRCLK4
SCHEMBL938450 0.77 CYP2D6 (0.62) CYP1A2CYP2D6MAPK1TSHRCLK4
SCHEMBL965628 0.77 CYP1A2 (0.48) CYP1A2CYP2D6MAPK1TSHRCLK4
SCHEMBL1084334 0.76 CYP2D6 (0.57) CYP1A2CYP2D6MAPK1TSHRCLK4
SCHEMBL1084218 0.76 CYP2D6 (0.60) CYP1A2CYP2D6MAPK1TSHRCLK4
SCHEMBL940084 0.76 CYP2D6 (0.57) CYP1A2CYP2D6MAPK1TSHRCLK4
SCHEMBL1083829 0.75 CYP2D6 (0.70) CYP1A2CYP2D6MAPK1TSHRCLK4

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 23 patents — showing the first 20. 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-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-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 — — US disclosed
US-20110021495-A1 QUINAZOLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 — — US disclosed
US-20110021495-A1 QUINAZOLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 — — US disclosed
US-20110021495-A1 QUINAZOLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 — — 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
US-7678802-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-16 — — US disclosed
EP-1608632-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-12-30 — — EP disclosed
EP-1608632-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-12-30 — — EP disclosed
US-20060217377-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-09-28 — — US disclosed
US-20040248890-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2004-12-09 — — US disclosed
WO-2004078733-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-09-16 — — 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 (4 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 CYP1A2 2515/4885CYP2D6 2468/4885MAPK1 3922/4885
US-20110021495-A1 QUINAZOLES USEFUL AS MODULATORS OF ION CHANNELS KCNN3, CACNA1I, CACNA1B CYP1A2 1509/4885CYP2D6 1496/4885MAPK1 3944/4885
US-20040248890-A1 Quinazolines useful as modulators of ion channels KCNN3, KCNN2, CACNA1I CYP1A2 2515/4885CYP2D6 2468/4885MAPK1 3922/4885
US-20060217377-A1 Quinazolines useful as modulators of ion channels KCNN3, KCNN2, CACNA1I CYP1A2 2515/4885CYP2D6 2468/4885MAPK1 3922/4885

“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.