SCHEMBL3249132

SCHEMBL3249132

COc1cccc(C2(c3ccnc(C(F)(F)F)c3)NC(N)c3ncccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
SYK P43405 1/20 0.35
BACE1 P56817 7/20 0.35
KCNH2 Q12809 6/20 0.35
OPRL1 P41146 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
OPRD1 P41143 1/20 0.33
P2RX7 Q99572 1/20 0.33
CETP P11597 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31

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
SCHEMBL3358453 0.90 BACE1 (0.37) SYKBACE1KCNH2ALDH1A1GAA
SCHEMBL3243724 0.86 KDM1A (0.40) KDM1ABACE1KCNH2ALDH1A1OPRD1
SCHEMBL3236753 0.85 BACE1 (0.34) BACE1KCNH2P2RX7CETP
SCHEMBL3357636 0.85 BACE1 (0.36) SYKBACE1KCNH2
SCHEMBL3239041 0.85 BACE1 (0.36) SYKBACE1KCNH2OPRL1
SCHEMBL3243561 0.85 PDK2 (0.38) BACE1KCNH2P2RX7CETP
SCHEMBL3358464 0.84 PTGS1 (0.31) BACE1KCNH2
SCHEMBL3358228 0.83 BACE1 (0.36) KDM1ABACE1KCNH2P2RX7
SCHEMBL3248418 0.82 KDM1A (0.38) KDM1ABACE1KCNH2RAB9AOPRD1
SCHEMBL3358442 0.82 BACE1 (0.42) SYKBACE1KCNH2CTSD

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-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 4044/4885SYK 2212/4885BACE1 3/4885

“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.