SCHEMBL3782969

SCHEMBL3782969

CC(C)(C)OC(=O)N1CCC(CNc2cc(Cl)nc(N)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
PKM P14618 1/20 0.48
BCDIN3D Q7Z5W3 1/20 0.47
PRMT5 O14744 1/20 0.45
BRD4 O60885 1/20 0.44
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
SYK P43405 1/20 0.43
TGFBR1 P36897 4/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
STS P08842 2/20 0.42
MAPT P10636 1/20 0.42
KDM1A O60341 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 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
SCHEMBL9884989 0.83 BCDIN3D (0.54) KDM4EPKMBCDIN3DPRMT5BRD4
SCHEMBL620090 0.83 KDM4E (0.50) KDM4EPKMBCDIN3DPRMT5BRD4
SCHEMBL3779057 0.83 KDM4E (0.53) KDM4EPKMBCDIN3DPRMT5CCNT1
SCHEMBL3784091 0.80 ALDH1A1 (0.45) BRD4HSP90AA1HSP90AB1MAPT
SCHEMBL3784088 0.80 ALDH1A1 (0.45) BRD4HSP90AA1HSP90AB1MAPT
SCHEMBL5403405 0.80 KDM4E (0.54) KDM4EPKMBCDIN3DPRMT5BRD4
SCHEMBL15757759 0.80 KDM4E (0.48) KDM4EPKMBCDIN3DPRMT5BRD4
SCHEMBL31637303 0.79 BCDIN3D (0.49) KDM4EPKMBCDIN3DBRD4IDO1
SCHEMBL4646351 0.79 KDM4E (0.53) KDM4EPKMBCDIN3DPRMT5BRD4
SCHEMBL29492796 0.78 IDO1 (0.49) KDM4EPKMBCDIN3DBRD4IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 US disclosed
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 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 (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-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES HRH2, HRH4, HRH3 KDM4E 2061/4885PKM 2598/4885BCDIN3D 2074/4885

“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.