SCHEMBL22971774

SCHEMBL22971774

COc1cc(-c2c[nH]c3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc23)cc(OC)c1OC

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.84
MAP3K11 Q16584 10/20 0.78
TNIK Q9UKE5 10/20 0.72
IKBKB O14920 2/20 0.68
CHUK O15111 2/20 0.68
ABL1 P00519 2/20 0.68
INSR P06213 2/20 0.68
CDK2 P24941 2/20 0.68
FLT3 P36888 2/20 0.68
SGK1 O00141 1/20 0.66
AURKA O14965 1/20 0.66
PRKAB2 O43741 1/20 0.66
ROCK2 O75116 1/20 0.66
NTRK1 P04629 1/20 0.66
LCK P06239 1/20 0.66
CDK1 P06493 1/20 0.66
IGF1R P08069 1/20 0.66
MET P08581 1/20 0.66
CYP3A4 P08684 1/20 0.66
SRC P12931 1/20 0.66

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
SCHEMBL12065822 0.89 MAP4K1 (0.84) MAP4K1MAP3K11TNIKIKBKBCHUK
SCHEMBL22971622 0.88 MAP4K1 (0.86) MAP4K1MAP3K11TNIKIKBKBCHUK
SCHEMBL12066038 0.87 MAP3K11 (1.00) MAP4K1MAP3K11TNIKIKBKBCHUK
SCHEMBL15154921 0.87 MAP4K1 (0.84) MAP4K1MAP3K11TNIKIKBKBCHUK
SCHEMBL22971703 0.87 MAP4K1 (0.78) MAP4K1MAP3K11TNIKIKBKBCHUK
SCHEMBL15154853 0.84 MAP4K1 (0.77) MAP4K1MAP3K11TNIKIKBKBCHUK
SCHEMBL22971590 0.84 TNIK (1.00) MAP4K1MAP3K11TNIKIKBKBCHUK
SCHEMBL22971615 0.83 MAP3K11 (0.91) MAP4K1MAP3K11TNIKIKBKBCHUK
SCHEMBL12066034 0.83 TNIK (1.00) MAP4K1MAP3K11TNIKIKBKBCHUK
SCHEMBL22971593 0.83 TNIK (0.79) MAP4K1MAP3K11TNIKIKBKBCHUK

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-20210040091-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SUPPRESSING TOXIC ENDOPLASMIC RETICULUM STRESS UNITED STATES GOVERNMENT 2021-02-11 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-20210040091-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR SUPPRESSING TOXIC ENDOPLASMIC RETICULUM STRESS HSPA5, ATP2A1, DNAJC10 MAP4K1 3152/4885MAP3K11 3182/4885TNIK 2690/4885

“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.