SCHEMBL2258111

SCHEMBL2258111

COc1ccc(CNc2nc(C)nc3ccc(N(C)C(C)=O)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ APP P05067 1/20 0.45
▸ CTNNB1 P35222 4/20 0.44
▸ TCF7L2 Q9NQB0 4/20 0.44
▸ HRH4 Q9H3N8 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ EGFR P00533 2/20 0.43
▸ PDE5A O76074 2/20 0.41
▸ TBXAS1 P24557 2/20 0.41
▸ PDE3B Q13370 2/20 0.41
▸ PDE3A Q14432 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41

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
SCHEMBL2258426 0.87 MEN1 (0.51) MAPTMEN1KMT2AAPPHRH4
SCHEMBL2257321 0.81 KDM4E (0.52) MAPTMEN1KMT2AAPPCTNNB1
SCHEMBL2257505 0.81 APP (0.54) MAPTKMT2AAPPCTNNB1TCF7L2
SCHEMBL2259245 0.79 CTNNB1 (0.52) MAPTMEN1KMT2AAPPCTNNB1
SCHEMBL3108332 0.79 MEN1 (0.54) MAPTMEN1KMT2AAPPHRH4
SCHEMBL12363531 0.78 KDR (0.62) EGFR
SCHEMBL3107678 0.78 APP (0.55) MEN1KMT2AAPPHRH4LMNA
SCHEMBL2256218 0.78 APP (0.58) MEN1KMT2AAPPHRH4EGFR
SCHEMBL3115409 0.75 PDE5A (0.60) MEN1KMT2AAPPHRH4EGFR
SCHEMBL2817787 0.75 APP (0.74) MAPTKMT2AAPPLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 4163/4885MEN1 2153/4885KMT2A 3878/4885

“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.

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