SCHEMBL1624044

SCHEMBL1624044

CCCCC(O)C(=O)NC1CCN(c2nc(-c3ccccc3O)nc3cc(C)ccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMAD3 P84022 1/20 0.42
MAPT P10636 5/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
HIF1A Q16665 1/20 0.36
CHEK1 O14757 1/20 0.36
TP53 P04637 1/20 0.36
OPRK1 P41145 2/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
CASP1 P29466 1/20 0.34

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
SCHEMBL1624020 0.95 CHEK2 (0.45) CHEK2MEN1KMT2ASMAD3MAPT
SCHEMBL6109608 0.92 MEN1 (0.45) CHEK2MEN1KMT2ASMAD3MAPT
SCHEMBL1624224 0.92 MEN1 (0.45) CHEK2MEN1KMT2ASMAD3MAPT
SCHEMBL1622579 0.92 MEN1 (0.45) CHEK2MEN1KMT2ASMAD3MAPT
SCHEMBL1623413 0.91 CHEK2 (0.54) CHEK2MEN1KMT2ASMAD3MAPT
SCHEMBL13080763 0.90 TSHR (0.45) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL12721361 0.89 SMAD3 (0.46) CHEK2MEN1KMT2ASMAD3MAPT
SCHEMBL12721382 0.89 SMAD3 (0.46) CHEK2MEN1KMT2ASMAD3MAPT
SCHEMBL12721343 0.89 SMAD3 (0.46) CHEK2MEN1KMT2ASMAD3MAPT
SCHEMBL13079981 0.88 MEN1 (0.43) CHEK2MEN1KMT2ASMAD3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101068794-B Quinazolines useful as modulators of ion channels VERTEX PHARMA 2012-12-19 CN disclosed
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed
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-7928107-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-19 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
US-20090312342-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-12-17 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-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 EP disclosed
CN-101068794-A Quinazolines useful as modulators of ion channels VERTEX PHARMA (US) 2007-11-07 CN 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-2006014357-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 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 CHEK2 2935/4885MEN1 2548/4885KMT2A 2404/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 CHEK2 2935/4885MEN1 2548/4885KMT2A 2404/4885

“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.