Sugi Predict

Sugi Predict / Compounds / SCHEMBL1623327

SCHEMBL1623327

SCHEMBL1623327

CC(C)(C)C(O)C(=O)N1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMAD3 P84022 1/20 0.47
▸ MAPT P10636 4/20 0.45
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CHEK2 O96017 3/20 0.44
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GBA1 P04062 3/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ HTT P42858 1/20 0.37

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
SCHEMBL1623323 1.00 MEN1 (0.50) MEN1KMT2ASMAD3MAPTTSHR
SCHEMBL12721010 1.00 MEN1 (0.50) MEN1KMT2ASMAD3MAPTTSHR
SCHEMBL13080696 0.89 GBA1 (0.46) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL1623629 0.89 MEN1 (0.48) MEN1KMT2ASMAD3MAPTTSHR
SCHEMBL1623632 0.89 MEN1 (0.48) MEN1KMT2ASMAD3MAPTTSHR
Hydrochloric Acid SCHEMBL1621258 0.88 MEN1 (0.47) MEN1KMT2ASMAD3MAPTTSHR
Hydrochloric Acid SCHEMBL1621261 0.88 MEN1 (0.47) MEN1KMT2ASMAD3MAPTTSHR
SCHEMBL1623361 0.86 MEN1 (0.48) MEN1KMT2ASMAD3MAPTTSHR
SCHEMBL1623364 0.86 MEN1 (0.48) MEN1KMT2ASMAD3MAPTTSHR
SCHEMBL1084633 0.86 MEN1 (0.56) MEN1KMT2ASMAD3MAPTTSHR

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-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 — — US disclosed
US-7928107-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-19 — — US disclosed
US-20090312342-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-12-17 — — US disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 — — EP disclosed
EP-1784393-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2007-05-16 — — EP disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 — — US disclosed
WO-2006028904-A9 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2006-06-22 — — WO disclosed
WO-2006028904-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-16 — — 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 (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-20090312342-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 MEN1 2548/4885KMT2A 2404/4885SMAD3 4194/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 MEN1 2548/4885KMT2A 2404/4885SMAD3 4194/4885

“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.