SCHEMBL1621664

SCHEMBL1621664

Cc1ccc2c(N3CCC(NC(=O)O)C3Cc3ccccc3)nc(-c3ccccc3O)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
CHEK2 O96017 5/20 0.41
SMAD3 P84022 1/20 0.40
AURKA O14965 1/20 0.37
HTT P42858 2/20 0.37
HIF1A Q16665 1/20 0.37
CHEK1 O14757 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
ATM Q13315 1/20 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
Hydrochloric Acid SCHEMBL1624356 0.99 MAPT (0.42) MAPTL3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL1622402 0.95 CHEK2 (0.39) MAPTL3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL1623244 0.95 SMAD3 (0.41) MAPTL3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL1621931 0.93 CHRNB2 (0.42) MAPTL3MBTL1ALDH1A1TSHRNPSR1
SCHEMBL184162 0.88 CHEK2 (0.44) MAPTKMT2ACHEK2GAALMNA
SCHEMBL1624502 0.87 CHEK2 (0.35) MAPTL3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL5506146 0.86 KMT2A (0.43) MAPTL3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL184191 0.84 KMT2A (0.42) MAPTL3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL1624307 0.84 MAPT (0.45) MAPTL3MBTL1ALDH1A1TSHRKMT2A
SCHEMBL5505194 0.81 SMAD3 (0.44) MAPTL3MBTL1ALDH1A1TSHRKMT2A

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 MAPT 2508/4885L3MBTL1 4028/4885ALDH1A1 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.