SCHEMBL14324924

SCHEMBL14324924

CCCC(=O)Nc1cc[nH]n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
CCNA1 P78396 1/20 0.52
GSK3B P49841 3/20 0.48
GSK3A P49840 1/20 0.48
TP53 P04637 1/20 0.47
CYP2C19 P33261 1/20 0.45
ADORA3 P0DMS8 8/20 0.44
ADORA1 P30542 4/20 0.44
ADORA2A P29274 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL4421326 0.86 LMNA (0.42) ADORA3ADORA1ADORA2AALDH1A1MAPT
SCHEMBL28137717 0.83 TSHR (0.50) GSK3BCYP2C19MAPT
SCHEMBL13041347 0.81 DEGS1 (0.46) MAPK1
SCHEMBL20503498 0.80 JAK2 (0.35) CCNA2CDK2CCNA1TP53
SCHEMBL6684465 0.79 CCNA2 (0.33) CCNA2CDK2CCNA1GSK3BGSK3A
SCHEMBL6917924 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1MAPT
Hydrochloric Acid SCHEMBL9140040 0.78 CCNA2 (0.33) CCNA2CDK2CCNA1GSK3BGSK3A
SCHEMBL2955585 0.78 ALDH1A1 (0.51) ALDH1A1MAPTHPGD
SCHEMBL4794477 0.78 SMN1; SMN2 (0.58) TP53ADORA3ADORA1ADORA2AALDH1A1
SCHEMBL9140019 0.77 GSK3A (0.34) CCNA2CDK2CCNA1GSK3BGSK3A

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-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP CCNA2 1269/4885CDK2 324/4885CCNA1 941/4885

“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.