SCHEMBL3109776

SCHEMBL3109776

CCOc1ccc(CNc2nc(C)nc3ccc(Br)cc23)cc1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.45
▸ ERBB2 P04626 2/20 0.45
▸ AURKA O14965 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CHRM4 P08173 2/20 0.41
▸ PTGFR P43088 1/20 0.39
▸ PDE5A O76074 3/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ BCHE P06276 3/20 0.39
▸ ACHE P22303 3/20 0.39
▸ APP P05067 3/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL3112460 0.87 ACHE (0.52) AURKALMNAHTTSMN1; SMN2BCHE
Hydrochloric Acid SCHEMBL3118517 0.86 LMNA (0.52) EGFRERBB2AURKALMNAHTT
SCHEMBL3108332 0.76 MEN1 (0.54) EGFRLMNAHTTSMN1; SMN2PDE5A
SCHEMBL20327097 0.75 APP (0.57) EGFRLMNAHTTSMN1; SMN2PDE5A
SCHEMBL3109780 0.74 PDGFRB (0.43) EGFRHTTPTGFR
SCHEMBL3109770 0.74 PTGFR (0.41) SMN1; SMN2PTGFR
SCHEMBL3121533 0.74 ACHE (0.51) EGFRERBB2AURKALMNASMN1; SMN2
SCHEMBL3118614 0.74 ACHE (0.53) AURKALMNABCHEACHEAPP
SCHEMBL3107574 0.73 PDE5A (0.52) HTTSMN1; SMN2CHRM4PDE5AMEN1
SCHEMBL21514373 0.73 KRAS (0.55) EGFRERBB2LMNAHTTSMN1; 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 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 EGFR 3147/4885ERBB2 2818/4885AURKA 1394/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2648/4885ERBB2 2343/4885AURKA 1279/4885

“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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