SCHEMBL20134866

SCHEMBL20134866

Cc1cnc(N[C@@H]2CN[C@H](C(C)(C)O)C2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
CHEK2 O96017 1/20 0.42
PAK1 Q13153 1/20 0.32
SSTR4 P31391 4/20 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
Hydrochloric Acid SCHEMBL29688666 0.99 CHEK1 (0.42) CHEK1CHEK2PAK1SSTR4
SCHEMBL20134889 0.80 CHEK1 (0.33) CHEK1CHEK2PAK1
SCHEMBL20135063 0.80 CHEK1 (0.33) CHEK1CHEK2PAK1
SCHEMBL20135148 0.79 CHEK1 (0.41) CHEK1CHEK2PAK1
Hydrochloric Acid SCHEMBL29688682 0.79 CHEK1 (0.32) CHEK1CHEK2PAK1
Hydrochloric Acid SCHEMBL29688904 0.79 CHEK1 (0.32) CHEK1CHEK2PAK1
SCHEMBL20134820 0.76 CHEK2 (0.38) CHEK1CHEK2PAK1SSTR4
SCHEMBL20135028 0.75 CHEK2 (0.51) CHEK1CHEK2PAK1SSTR4
Hydrochloric Acid SCHEMBL29688683 0.75 CHEK2 (0.37) CHEK1CHEK2PAK1SSTR4
SCHEMBL20135318 0.73 CHEK2 (0.31) CHEK1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP 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 (2 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 CHEK1 4792/4885CHEK2 4437/4885PAK1 2256/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CHEK1 4797/4885CHEK2 4390/4885PAK1 2509/4885

“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.