SCHEMBL14575136

SCHEMBL14575136

CC(C)(C)Nc1nc2ccc(Br)cc2cc1C=Cc1cc(C(C)(C)C)ncn1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MTOR P42345 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
CD38 P28907 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30

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
SCHEMBL14575135 1.00 HTT (0.32) HTTLMNAKDM4EALDH1A1HPGD
SCHEMBL14575275 0.81 CLK4 (0.40) LMNAALDH1A1
SCHEMBL14575272 0.81 CLK4 (0.40) LMNAALDH1A1
SCHEMBL11096 0.74 CDK2 (0.40) ALDH1A1
SCHEMBL1767866 0.72 HTT (0.32) HTTLMNASMN1; SMN2CCNCCDK8
SCHEMBL1767869 0.72 LMNA (0.32) HTTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL21988887 0.69 CDK2 (0.43) KDM4E
SCHEMBL11339 0.68 PPARA (0.38) HTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL11338 0.68 PPARA (0.38) HTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL14617054 0.65 MAOA (0.43) HTTKDM4EALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822485-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-09-02 US disclosed
US-20130018064-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-01-17 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-20130018064-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP HTT 2680/4885LMNA 1511/4885KDM4E 1582/4885

“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.