SCHEMBL3112460

SCHEMBL3112460

CCOc1ccc(CNc2nc(C)nc3ccccc23)cc1F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 8/20 0.52
▸ BCHE P06276 5/20 0.52
▸ APP P05067 10/20 0.51
▸ LMNA P02545 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ AURKA O14965 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NTRK1 P04629 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
Hydrochloric Acid SCHEMBL3118517 0.99 LMNA (0.52) ACHEBCHEAPPLMNAMEN1
SCHEMBL3109776 0.87 EGFR (0.45) ACHEBCHEAPPLMNAMEN1
SCHEMBL3121533 0.86 ACHE (0.51) ACHEBCHEAPPLMNAMEN1
SCHEMBL3118614 0.86 ACHE (0.53) ACHEBCHEAPPLMNAMEN1
Hydrochloric Acid SCHEMBL3455528 0.78 TSHR (0.58) LMNAMEN1KMT2ATSHRHTT
SCHEMBL4863396 0.77 APP (0.73) ACHEBCHEAPPLMNAMEN1
SCHEMBL3977315 0.76 RAD52 (0.71) ACHEBCHEAPPLMNAMEN1
SCHEMBL12175936 0.75 APP (0.74) ACHEBCHEAPPLMNAMEN1
SCHEMBL3118673 0.75 ACHE (0.60) ACHEBCHEAPPLMNAMEN1
SCHEMBL3109794 0.75 ACHE (0.63) ACHEBCHEAPPLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — US claimed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 — — US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 — — US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — 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 (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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX ACHE 3180/4885BCHE 2344/4885APP 2989/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX ACHE 3329/4885BCHE 2257/4885APP 3261/4885

“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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