SCHEMBL1624223

SCHEMBL1624223

Cc1ccc2c(N3CCN(C(=O)OC(C)(C)C)[C@@H](COCc4ccccc4)C3)nc(-c3ccccc3O)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHEK2 O96017 2/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
TLR9 Q9NR96 4/20 0.40
TLR7 Q9NYK1 2/20 0.40
SMAD3 P84022 1/20 0.39
GBA1 P04062 2/20 0.38
HDAC1 Q13547 1/20 0.38
PARP1 P09874 1/20 0.37
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
GLA P06280 2/20 0.35

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
SCHEMBL1624222 1.00 DPP4 (0.42) DPP4ALDH1A1MAPTTSHRL3MBTL1
SCHEMBL1623363 0.91 MAPT (0.46) ALDH1A1MAPTTSHRL3MBTL1MEN1
SCHEMBL12759936 0.89 CHEK2 (0.40) DPP4ALDH1A1MAPTTSHRL3MBTL1
SCHEMBL6110377 0.86 MAPT (0.46) ALDH1A1MAPTTSHRL3MBTL1MEN1
SCHEMBL1623960 0.86 CHEK2 (0.39) ALDH1A1MAPTTSHRL3MBTL1MEN1
SCHEMBL1623964 0.86 CHEK2 (0.39) ALDH1A1MAPTTSHRL3MBTL1MEN1
SCHEMBL1623961 0.86 CHEK2 (0.39) ALDH1A1MAPTTSHRL3MBTL1MEN1
SCHEMBL1621759 0.85 MAPT (0.41) ALDH1A1MAPTTSHRL3MBTL1MEN1
SCHEMBL1621760 0.85 MAPT (0.41) ALDH1A1MAPTTSHRL3MBTL1MEN1
Trifluoroacetic Acid SCHEMBL1624077 0.83 MAPT (0.38) ALDH1A1MAPTTSHRL3MBTL1MEN1

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-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-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
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US 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 DPP4 2127/4885ALDH1A1 2907/4885MAPT 2508/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 DPP4 2127/4885ALDH1A1 2907/4885MAPT 2508/4885

“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.