Sugi Predict

Sugi Predict / Compounds / SCHEMBL4014572

SCHEMBL4014572

SCHEMBL4014572

Cc1ccc2c(N3CC[CH]C[C@@H]3C(N)=O)nc(-c3ccccc3O)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ SMAD3 P84022 1/20 0.41
▸ CHEK2 O96017 2/20 0.39
▸ MAPT P10636 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ TSHR P16473 3/20 0.37
▸ GRM2 Q14416 2/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ HTT P42858 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
SCHEMBL3426191 1.00 KMT2A (0.41) KMT2AMEN1SMAD3CHEK2MAPT
SCHEMBL4014375 0.85 KMT2A (0.43) KMT2AMEN1SMAD3CHEK2MAPT
SCHEMBL1084462 0.79 TSHR (0.58) KMT2AMEN1SMAD3CHEK2MAPT
SCHEMBL5506324 0.79 SMAD3 (0.62) KMT2AMEN1SMAD3CHEK2MAPT
SCHEMBL1084873 0.78 CHEK2 (0.46) KMT2AMEN1SMAD3CHEK2MAPT
SCHEMBL14406472 0.78 SMAD3 (0.43) KMT2AMEN1SMAD3CHEK2MAPT
SCHEMBL1084067 0.78 SMAD3 (0.43) KMT2AMEN1SMAD3CHEK2MAPT
SCHEMBL183876 0.77 SMAD3 (0.57) KMT2AMEN1SMAD3CHEK2MAPT
SCHEMBL14406212 0.77 MEN1 (0.56) KMT2AMEN1SMAD3CHEK2MAPT
SCHEMBL1084827 0.76 MAT2A (0.56) KMT2AMEN1SMAD3CHEK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-A9 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2006-06-22 — — WO 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.