SCHEMBL10164411

SCHEMBL10164411

COC(=O)c1cc(C(C)=O)n2nc(C(F)(F)F)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 4/20 0.42
HSD17B10 Q99714 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
MAPT P10636 3/20 0.41
PDE4B Q07343 2/20 0.40
AURKA O14965 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
LTK P29376 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK8 P49336 1/20 0.39
CLK2 P49760 1/20 0.39
CDK5 Q00535 1/20 0.39
ACVR1 Q04771 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
RBP4 P02753 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
SCHEMBL8253879 0.89 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL4263238 0.83 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL10164497 0.82 CYP1A2 (0.46) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL10164501 0.81 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL8253781 0.76 KDM4E (0.43) KDM4EALDH1A1HSD17B10CASP1MAPT
SCHEMBL10164479 0.74 LCK (0.40) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL10164187 0.74 MAPT (0.47) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL8252009 0.74 MAPK1 (0.43)
SCHEMBL26918823 0.73 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL10165316 0.72 SMN1; SMN2 (0.53) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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 KDM4E 2058/4885ALDH1A1 1806/4885SMN1; SMN2 4594/4885

“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.