SCHEMBL3245129

SCHEMBL3245129

COc1c(C)cc(C2(c3cccc(OCCCF)c3)NC(N)c3ncccc32)cc1C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3243768 0.86 BACE1 (0.33) KDM1AALOX15TSHRMAPK1HSD17B10
SCHEMBL3245524 0.86 HCAR2 (0.31)
SCHEMBL3240569 0.85 BACE1 (0.32)
SCHEMBL3243721 0.84 GCK (0.33) ALOX15TSHRMAPK1HSD17B10
SCHEMBL3239193 0.83 BACE1 (0.35)
SCHEMBL3244330 0.81 BACE1 (0.35)
SCHEMBL3239146 0.81 P2RX7 (0.34)
SCHEMBL3242727 0.80 BACE1 (0.37)
SCHEMBL3246067 0.79 BACE1 (0.33)
SCHEMBL3357676 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US claimed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO claimed
US-20100125087-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056195-A1 NEW COMPOUNDS 575 ASTRAZENECA AB (SE) 2010-05-20 WO 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-20100125087-A1 NEW COMPOUNDS 575 PSEN1, PSEN2, BACE1 KDM1A 4044/4885ALOX15 1041/4885TSHR 4683/4885

“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.