SCHEMBL1623397

SCHEMBL1623397

CC(=O)CC(O)C(=O)N1CCN(c2nc(-c3ccccc3O)nc3cc(C)ccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
SMAD3 P84022 1/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 2/20 0.46
AKT1 P31749 3/20 0.42
CHEK2 O96017 1/20 0.40
AKT2 P31751 2/20 0.40
AKT3 Q9Y243 2/20 0.40
GBA1 P04062 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAD52 P43351 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL1623391 1.00 KMT2A (0.49) KMT2AMEN1SMAD3MAPTALDH1A1
SCHEMBL1623415 0.93 KMT2A (0.52) KMT2AMEN1SMAD3MAPTALDH1A1
SCHEMBL1623421 0.93 KMT2A (0.52) KMT2AMEN1SMAD3MAPTALDH1A1
SCHEMBL1624616 0.92 MEN1 (0.48) KMT2AMEN1SMAD3MAPTALDH1A1
SCHEMBL1624621 0.92 MEN1 (0.48) KMT2AMEN1SMAD3MAPTALDH1A1
SCHEMBL12721005 0.91 MEN1 (0.51) KMT2AMEN1SMAD3MAPTALDH1A1
SCHEMBL1623464 0.91 MEN1 (0.51) KMT2AMEN1SMAD3MAPTALDH1A1
SCHEMBL1623468 0.91 MEN1 (0.51) KMT2AMEN1SMAD3MAPTALDH1A1
SCHEMBL1621815 0.91 KMT2A (0.47) KMT2AMEN1SMAD3MAPTALDH1A1
SCHEMBL1621969 0.91 MEN1 (0.47) KMT2AMEN1SMAD3MAPTALDH1A1

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 7 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-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 KMT2A 2404/4885MEN1 2548/4885SMAD3 4194/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 KMT2A 2404/4885MEN1 2548/4885SMAD3 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.