SCHEMBL20135318

SCHEMBL20135318

COC[C@@H]1C[C@H](Nc2ncc(C)cc2C)CN1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.31
CHEK1 O14757 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NOS3 P29474 4/20 0.30
NOS1 P29475 4/20 0.30
NOS2 P35228 4/20 0.30
BTK Q06187 1/20 0.30

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 SCHEMBL29689054 0.99 CHEK1 (0.31) CHEK2CHEK1KDM4EALDH1A1GAA
SCHEMBL20135148 0.86 CHEK1 (0.41) CHEK2CHEK1NOS3NOS1NOS2
SCHEMBL20135063 0.79 CHEK1 (0.33) CHEK2CHEK1NOS3NOS1NOS2
SCHEMBL20134889 0.79 CHEK1 (0.33) CHEK2CHEK1NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL29688904 0.78 CHEK1 (0.32) CHEK2CHEK1NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL29688682 0.78 CHEK1 (0.32) CHEK2CHEK1NOS3NOS1NOS2
SCHEMBL20135028 0.77 CHEK2 (0.51) CHEK2CHEK1BTK
SCHEMBL20134866 0.73 CHEK1 (0.42) CHEK2CHEK1
SCHEMBL20134820 0.72 CHEK2 (0.38) CHEK2CHEK1BTK
Hydrochloric Acid SCHEMBL29688666 0.72 CHEK1 (0.42) CHEK2CHEK1

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 CHEK2 4437/4885CHEK1 4792/4885KDM4E 725/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CHEK2 4390/4885CHEK1 4797/4885KDM4E 723/4885

“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.