SCHEMBL3108288

SCHEMBL3108288

COc1ccc(CNc2nc(NCCO)nc3ccc(N)cc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.54
CCNE1 P24864 2/20 0.54
CDK2 P24941 2/20 0.54
APP P05067 3/20 0.53
BCDIN3D Q7Z5W3 1/20 0.49
SLC2A1 P11166 1/20 0.49
CTNNB1 P35222 2/20 0.47
TCF7L2 Q9NQB0 2/20 0.47
RAD52 P43351 2/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
NCF1 P14598 1/20 0.46
SHMT2 P34897 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
MEN1 O00255 1/20 0.45
HRH4 Q9H3N8 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
SCHEMBL3106463 0.91 CCNE2 (0.58) CCNE2CCNE1CDK2APPBCDIN3D
SCHEMBL2258991 0.87 CTNNB1 (0.57) APPSLC2A1CTNNB1TCF7L2KMT2A
SCHEMBL2256218 0.82 APP (0.58) APPSLC2A1KMT2APOLBNCF1
SCHEMBL23747981 0.81 SLC2A1 (0.66) APPSLC2A1RAD52KMT2APOLB
SCHEMBL2260475 0.79 APP (0.55) APPCTNNB1TCF7L2KMT2ANCF1
SCHEMBL27221084 0.79 CCNE2 (0.71) CCNE2CCNE1CDK2BCDIN3DKDM4E
SCHEMBL3108295 0.78 TUBB3 (0.49) RAD52SHMT2
SCHEMBL3125240 0.78 CTNNB1 (0.55) CCNE2CCNE1CDK2APPBCDIN3D
SCHEMBL2590386 0.77 EGFR (0.70) APPSLC2A1CTNNB1TCF7L2RAD52
SCHEMBL3114944 0.76 CTNNB1 (0.56) CCNE2CCNE1CDK2APPBCDIN3D

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 CCNE2 901/4885CCNE1 692/4885CDK2 154/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX CCNE2 542/4885CCNE1 478/4885CDK2 104/4885

“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.