Sugi Predict

Sugi Predict / Compounds / SCHEMBL1623964

SCHEMBL1623964

SCHEMBL1623964

Cc1ccc2c(N3CCN(C(=O)OC4CCOC4)[C@@H](COCc4ccccc4)C3)nc(-c3ccccc3O)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 3/20 0.39
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMAD3 P84022 1/20 0.35
▸ PIK3CA P42336 2/20 0.34
▸ MTOR P42345 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ USP2 O75604 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ CLK4 Q9HAZ1 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL1623961 1.00 CHEK2 (0.39) CHEK2MAPTALDH1A1TSHRL3MBTL1
SCHEMBL1623960 1.00 CHEK2 (0.39) CHEK2MAPTALDH1A1TSHRL3MBTL1
SCHEMBL12759621 0.91 CHEK2 (0.38) CHEK2MAPTALDH1A1TSHRL3MBTL1
SCHEMBL1623699 0.90 CHEK2 (0.41) CHEK2MAPTALDH1A1TSHRL3MBTL1
SCHEMBL1623697 0.90 CHEK2 (0.41) CHEK2MAPTALDH1A1TSHRL3MBTL1
SCHEMBL1623696 0.90 CHEK2 (0.41) CHEK2MAPTALDH1A1TSHRL3MBTL1
Trifluoroacetic Acid SCHEMBL1623567 0.87 CHEK2 (0.39) CHEK2MAPTALDH1A1TSHRL3MBTL1
SCHEMBL1623363 0.87 MAPT (0.46) CHEK2MAPTALDH1A1TSHRL3MBTL1
SCHEMBL1624223 0.86 DPP4 (0.42) CHEK2MAPTALDH1A1TSHRL3MBTL1
SCHEMBL1624222 0.86 DPP4 (0.42) CHEK2MAPTALDH1A1TSHRL3MBTL1

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 2935/4885MAPT 2508/4885ALDH1A1 2907/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 CHEK2 2935/4885MAPT 2508/4885ALDH1A1 2907/4885

“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.