SCHEMBL13311982

SCHEMBL13311982

[C-]#[N+]c1cc(Nc2ncc(-c3cccc(/C=C/C(=O)O)c3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
SYK P43405 6/20 0.35
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
MAPK3 P27361 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EGFR P00533 4/20 0.34
BTK Q06187 2/20 0.34
KDR P35968 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
AXL P30530 1/20 0.33
CDK4 P11802 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL3448834 0.93 THRB (0.40) THRBHTTSYKSTIM1ORAI1
SCHEMBL3448845 0.93 THRB (0.40) THRBHTTSYKSTIM1ORAI1
SCHEMBL3450550 0.90 KDR (0.42) THRBHTTSYKMAPK3CNR2
SCHEMBL3450547 0.90 KDR (0.42) THRBHTTSYKMAPK3CNR2
SCHEMBL13311904 0.90 SYK (0.39) SYKPIM2
SCHEMBL13311981 0.89 THRB (0.35) THRBHTTSYKMAPK3CNR2
SCHEMBL3451251 0.89 THRB (0.40) THRBHTTSYKMAPK3CNR2
SCHEMBL3451256 0.89 THRB (0.40) THRBHTTSYKMAPK3CNR2
SCHEMBL3448270 0.88 SYK (0.37) THRBHTTSYKMAPK3CNR2
SCHEMBL3448273 0.88 SYK (0.37) THRBHTTSYKMAPK3CNR2

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD THRB 3527/4885HTT 3861/4885SYK 804/4885

“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.