SCHEMBL4548620

SCHEMBL4548620

CC(C)(C)c1ncc2c(C(C)(C)C)cccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
PLA2G1B P04054 2/20 0.35
ATG4B Q9Y4P1 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCNE2 O96020 6/20 0.34
CCNE1 P24864 6/20 0.34
CDK2 P24941 6/20 0.34
CDK4 P11802 4/20 0.34
CCND1 P24385 4/20 0.34
CCNB2 O95067 2/20 0.34
CDK1 P06493 2/20 0.34
CCNB1 P14635 2/20 0.34
CCNB3 Q8WWL7 2/20 0.34
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34
ATM Q13315 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL10220808 0.81 CCNE2 (0.36) ALDH1A1MAPTPLA2G1BATG4BLMNA
SCHEMBL21237253 0.81 NUDT1 (0.41) CA2ALDH1A1ADORA2AADORA1
SCHEMBL10220806 0.81 MAPT (0.44) ALDH1A1MAPTPLA2G1BATG4BLMNA
SCHEMBL24174451 0.78 TLR7 (0.34) CA2ALDH1A1MAPTPLA2G1BATG4B
SCHEMBL25054655 0.74 TNF (0.43) ALDH1A1MAPTLMNAADORA2AADORA1
SCHEMBL24768886 0.74 LMNA (0.56) ALDH1A1MAPTPLA2G1BATG4BLMNA
SCHEMBL322264 0.73 CYP1A2 (0.42) ALDH1A1MAPTPLA2G1BATG4BLMNA
SCHEMBL22210786 0.73 ADORA2A (0.30) ADORA2AADORA1
SCHEMBL22940105 0.73 GPR3 (0.47) CA2ALDH1A1MAPTATMELANE
SCHEMBL20127241 0.73 CA2 (0.38) CA2ALDH1A1GABRA1GABRB2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 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-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET CA2 2785/4885ALDH1A1 81/4885MAPT 2653/4885

“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.