SCHEMBL20934859

SCHEMBL20934859

Clc1ccc(NCCNC2COC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
KCNQ3 O43525 4/20 0.35
KCNQ2 O43526 4/20 0.35
KCNE1 P15382 3/20 0.35
KCNQ1 P51787 3/20 0.35
BACE1 P56817 1/20 0.35
PTH1R Q03431 4/20 0.35
ALDH1A1 P00352 1/20 0.34
TNF P01375 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL24375404 0.82 PTH1R (0.33) MAPTPTH1R
SCHEMBL20934880 0.73 APP (0.39) MAPTPTH1RALDH1A1
SCHEMBL26406348 0.73 MAPT (0.59) MAPTPTH1RALDH1A1
SCHEMBL20934767 0.73 FPR2 (0.37) MAPTALDH1A1
SCHEMBL19796165 0.72 KCNQ3 (0.44) MAPTKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9218436 0.71 STK17A (0.51)
SCHEMBL7662714 0.71 RRM2 (0.44) MAPTKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL9220618 0.71 STK17A (0.44) MAPTKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL17604124 0.71 KCNQ3 (0.46) MAPTKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL19796124 0.69 MAPT (0.46) MAPTKCNQ3KCNQ2KCNE1KCNQ1

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-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2023-01-19 US disclosed
WO-2019079373-A1 PYRIMIDINE TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-04-25 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-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF DTYMK, TBKBP1, NFKBIA MAPT 1313/4885KCNQ3 3200/4885KCNQ2 2557/4885

“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.