SCHEMBL1622782

SCHEMBL1622782

Cc1ccc2c(N3CCC(NC(=O)O)CC3)nc(-c3c(O)cccc3F)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.54
EGLN1 Q9GZT9 2/20 0.42
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.36

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
SCHEMBL183939 0.95 CHEK2 (0.57) CHEK2EGLN1MAPTL3MBTL1CCNE1
SCHEMBL1623194 0.95 CHEK2 (0.57) CHEK2EGLN1MAPTL3MBTL1CCNE1
Hydrochloric Acid SCHEMBL4013463 0.94 CHEK2 (0.56) CHEK2EGLN1MAPTL3MBTL1CCNE1
Hydrochloric Acid SCHEMBL4013455 0.94 CHEK2 (0.56) CHEK2EGLN1MAPTL3MBTL1CCNE1
SCHEMBL1624394 0.89 CHEK2 (0.47) CHEK2EGLN1L3MBTL1
SCHEMBL1624145 0.87 CHEK2 (0.53) CHEK2EGLN1MAPTTSHR
SCHEMBL1624144 0.87 CHEK2 (0.53) CHEK2EGLN1MAPTTSHR
SCHEMBL1084988 0.87 CHEK2 (0.46) CHEK2EGLN1MAPTL3MBTL1TSHR
SCHEMBL1084915 0.87 CHEK2 (0.57) CHEK2EGLN1MAPTTSHRMEN1
SCHEMBL1084592 0.87 CHEK2 (0.57) CHEK2MAPTL3MBTL1TSHRMEN1

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 5 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
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 CHEK2 2935/4885EGLN1 4010/4885MAPT 2508/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 CHEK2 2935/4885EGLN1 4010/4885MAPT 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.