SCHEMBL1622402

SCHEMBL1622402

Cc1ccc2c(N3CCC(NC(=O)O)C3Cc3ccncc3)nc(-c3ccccc3O)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMAD3 P84022 1/20 0.38
CYP46A1 Q9Y6A2 2/20 0.37
HIF1A Q16665 2/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 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
SCHEMBL1621664 0.95 MAPT (0.42) CHEK2KMT2AMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL1624356 0.94 MAPT (0.42) CHEK2KMT2AMEN1MAPTALDH1A1
SCHEMBL1621931 0.92 CHRNB2 (0.42) MAPTALDH1A1TSHRL3MBTL1NPSR1
SCHEMBL1623244 0.90 SMAD3 (0.41) CHEK2KMT2AMEN1MAPTALDH1A1
SCHEMBL1624502 0.84 CHEK2 (0.35) CHEK2KMT2AMEN1MAPTALDH1A1
SCHEMBL184162 0.83 CHEK2 (0.44) CHEK2KMT2AMAPTUSP2LMNA
SCHEMBL5506146 0.83 KMT2A (0.43) CHEK2KMT2AMEN1MAPTALDH1A1
SCHEMBL184191 0.82 KMT2A (0.42) CHEK2KMT2AMEN1MAPTALDH1A1
SCHEMBL1624307 0.82 MAPT (0.45) CHEK2KMT2AMEN1MAPTALDH1A1
SCHEMBL5505194 0.78 SMAD3 (0.44) CHEK2KMT2AMEN1MAPTALDH1A1

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 3 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-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 (1 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-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 CHEK2 2935/4885KMT2A 2404/4885MEN1 2548/4885

“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.