SCHEMBL10164461

SCHEMBL10164461

COC(=O)c1cc(C(C)=O)n2ncnc2n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GLA P06280 1/20 0.39
MBOAT4 Q96T53 2/20 0.38
MAPT P10636 1/20 0.38
LCK P06239 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8247048 0.91 MAPK1 (0.50) MAPK1HPGDALDH1A1LMNAGAA
SCHEMBL8253218 0.88 MAPK1 (0.48) MAPK1HPGDALDH1A1LMNAGAA
SCHEMBL10164443 0.86 MAPK1 (0.37) MAPK1HPGDALDH1A1LMNAGAA
SCHEMBL4264078 0.84 MAPK1 (0.47) MAPK1HPGDALDH1A1LMNAGAA
SCHEMBL4255764 0.83 ALDH1A1 (0.56) MAPK1HPGDALDH1A1LMNAGAA
SCHEMBL8247388 0.82 MAPK1 (0.49) MAPK1HPGDALDH1A1LMNAGAA
SCHEMBL8253403 0.82 MAPK1 (0.44) MAPK1HPGDALDH1A1LMNAGAA
SCHEMBL4255080 0.79 MAPK1 (0.61) MAPK1HPGDALDH1A1LMNAL3MBTL1
SCHEMBL10165798 0.77 ALDH1A1 (0.51) MAPK1HPGDALDH1A1LMNAL3MBTL1
SCHEMBL10164479 0.76 LCK (0.40) MAPK1HPGDALDH1A1MAPTLCK

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-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 MAPK1 2860/4885HPGD 313/4885ALDH1A1 1806/4885

“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.