SCHEMBL3324465

SCHEMBL3324465

COc1ccc(Oc2nc(C)ccc2OC[C@H]2CCCNC2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
JAK3 P52333 1/20 0.43
IKBKB O14920 2/20 0.42
CHUK O15111 2/20 0.42
S1PR4 O95977 1/20 0.41
MAP2K1 Q02750 2/20 0.41
ACP1 P24666 3/20 0.40
CHEK2 O96017 1/20 0.39
KDM1A O60341 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CTSS P25774 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL3324472 1.00 EED (0.43) EEDJAK2JAK1JAK3IKBKB
SCHEMBL4238980 0.91 MAP2K1 (0.42) JAK2JAK1JAK3IKBKBCHUK
SCHEMBL3328810 0.90 MAP2K1 (0.43) IKBKBCHUKMAP2K1KDM1ASLC6A4
SCHEMBL3324733 0.90 MAP2K1 (0.43) IKBKBCHUKMAP2K1KDM1ASLC6A4
SCHEMBL3323670 0.89 IKBKB (0.43) JAK2JAK1JAK3IKBKBCHUK
SCHEMBL3324255 0.89 IKBKB (0.43) JAK2JAK1JAK3IKBKBCHUK
SCHEMBL3325855 0.89 S1PR4 (0.45) IKBKBCHUKS1PR4MAP2K1SLC6A2
SCHEMBL3325306 0.89 S1PR4 (0.45) IKBKBCHUKS1PR4MAP2K1SLC6A2
SCHEMBL3323336 0.89 IKBKB (0.43) EEDJAK2JAK1JAK3IKBKB
SCHEMBL3323340 0.89 IKBKB (0.43) EEDJAK2JAK1JAK3IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120858-A1 Piperidine Derivatives PFIZER INC. 2010-05-13 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-20100120858-A1 Piperidine Derivatives P2RX5, P2RX7, P2RX1 EED 1352/4885JAK2 67/4885JAK1 424/4885

“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.