SCHEMBL2256453

SCHEMBL2256453

COC(=O)N(C)c1ccc(CNc2nc(C)nc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 5/20 0.49
TSHR P16473 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
ACHE P22303 7/20 0.49
APP P05067 6/20 0.49
CTNNB1 P35222 3/20 0.48
TCF7L2 Q9NQB0 3/20 0.48
KDM1A O60341 1/20 0.48
HTT P42858 1/20 0.47
RAD52 P43351 1/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
BCHE P06276 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL2257505 0.89 APP (0.54) SMN1; SMN2LMNATSHRCYP1A2CYP3A4
SCHEMBL2257676 0.80 CTNNB1 (0.54) SMN1; SMN2ACHEAPPCTNNB1TCF7L2
SCHEMBL3977315 0.79 RAD52 (0.71) SMN1; SMN2LMNATSHRACHEAPP
SCHEMBL2817787 0.78 APP (0.74) SMN1; SMN2LMNATSHRCYP1A2CYP3A4
SCHEMBL12175936 0.78 APP (0.74) LMNATSHRHPGDACHEAPP
SCHEMBL2256456 0.78 EGFR (0.67) CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL2395193 0.77 APP (0.73) SMN1; SMN2LMNATSHRCYP1A2CYP3A4
SCHEMBL2263166 0.76 ACHE (0.65) SMN1; SMN2ACHEAPPCTNNB1TCF7L2
SCHEMBL12176179 0.76 APP (0.71) LMNATSHRACHEAPPCTNNB1
SCHEMBL3126067 0.76 APP (0.67) LMNATSHRACHEAPPHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989462-B2 4-arylamin-or-4-heteroarylamino-quinazolines and analogs as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2011-08-02 US claimed
US-20080004297-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-03 US claimed
EP-1833482-A2 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 EP claimed
WO-2006074147-A2 NITROGEN CONTAINING BICYCLIC COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 WO claimed
US-7989462-B2 4-arylamin-or-4-heteroarylamino-quinazolines and analogs as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2011-08-02 US disclosed
US-20080004297-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-03 US disclosed
EP-1833482-A2 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 EP disclosed
WO-2006074147-A2 NITROGEN CONTAINING BICYCLIC COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 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 (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-20080004297-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX SMN1; SMN2 1773/4885LMNA 1197/4885TSHR 4534/4885

“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.