Sugi Predict

Sugi Predict / Compounds / SCHEMBL938570

SCHEMBL938570

SCHEMBL938570

COc1ccc(Br)cc1-c1nc(N(C)C)c2ccccc2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 14/20 0.72
▸ CYP1A2 P05177 13/20 0.72
▸ CYP3A4 P08684 11/20 0.72
▸ TSHR P16473 9/20 0.72
▸ ALDH1A1 P00352 9/20 0.72
▸ HSD17B10 Q99714 7/20 0.72
▸ LMNA P02545 6/20 0.72
▸ ALOX15 P16050 5/20 0.72
▸ USP2 O75604 4/20 0.72
▸ TP53 P04637 2/20 0.72
▸ CYP2C19 P33261 9/20 0.54
▸ CLK4 Q9HAZ1 8/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ CYP2C9 P11712 6/20 0.54
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ MAPT P10636 4/20 0.49
▸ HIF1A Q16665 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49

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
SCHEMBL939163 0.86 CYP2D6 (0.74) CYP2D6CYP1A2CYP3A4TSHRALDH1A1
SCHEMBL1084145 0.85 CYP1A2 (0.81) CYP2D6CYP1A2CYP3A4TSHRALDH1A1
SCHEMBL1083943 0.85 CYP2D6 (0.72) CYP2D6CYP1A2CYP3A4TSHRALDH1A1
SCHEMBL938193 0.84 CYP1A2 (1.00) CYP2D6CYP1A2CYP3A4TSHRALDH1A1
SCHEMBL940084 0.82 CYP2D6 (0.57) CYP2D6CYP1A2CYP3A4TSHRALDH1A1
SCHEMBL28609356 0.82 TSHR (0.54) CYP2D6CYP1A2CYP3A4TSHRALDH1A1
SCHEMBL28607319 0.77 CYP1A2 (0.58) CYP2D6CYP1A2CYP3A4TSHRALDH1A1
SCHEMBL963568 0.77 CYP1A2 (0.60) CYP2D6CYP1A2CYP3A4TSHRALDH1A1
SCHEMBL940040 0.77 CYP1A2 (0.60) CYP2D6CYP1A2CYP3A4TSHRALDH1A1
SCHEMBL939168 0.76 CYP2D6 (0.70) CYP2D6CYP1A2CYP3A4TSHRALDH1A1

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 25 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-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
EP-1608632-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2005-12-28 — — EP 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
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 CYP2D6 2468/4885CYP1A2 2515/4885CYP3A4 2226/4885
US-20110021495-A1 QUINAZOLES USEFUL AS MODULATORS OF ION CHANNELS KCNN3, CACNA1I, CACNA1B CYP2D6 1496/4885CYP1A2 1509/4885CYP3A4 1147/4885
US-20040248890-A1 Quinazolines useful as modulators of ion channels KCNN3, KCNN2, CACNA1I CYP2D6 2468/4885CYP1A2 2515/4885CYP3A4 2226/4885
US-20060217377-A1 Quinazolines useful as modulators of ion channels KCNN3, KCNN2, CACNA1I CYP2D6 2468/4885CYP1A2 2515/4885CYP3A4 2226/4885

“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.