SCHEMBL20134889

SCHEMBL20134889

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.33
KCNH2 Q12809 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
PAK1 Q13153 1/20 0.32
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
BRD4 O60885 2/20 0.31
TAF1 P21675 2/20 0.31
ATAD2 Q6PL18 2/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
BRDT Q58F21 1/20 0.31
CHEK2 O96017 1/20 0.31
IRAK4 Q9NWZ3 2/20 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
SCHEMBL20135063 1.00 CHEK1 (0.33) CHEK1KCNH2NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL29688904 0.99 CHEK1 (0.32) CHEK1KCNH2NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL29688682 0.99 CHEK1 (0.32) CHEK1KCNH2NOS3NOS1NOS2
SCHEMBL20135148 0.82 CHEK1 (0.41) CHEK1NOS3NOS1NOS2PAK1
SCHEMBL20134866 0.80 CHEK1 (0.42) CHEK1PAK1CHEK2
SCHEMBL20135318 0.79 CHEK2 (0.31) CHEK1NOS3NOS1NOS2CHEK2
SCHEMBL20134820 0.79 CHEK2 (0.38) CHEK1KCNH2PAK1JAK3BRD4
Hydrochloric Acid SCHEMBL29688666 0.79 CHEK1 (0.42) CHEK1PAK1CHEK2
SCHEMBL20135028 0.78 CHEK2 (0.51) CHEK1PAK1CHEK2
Hydrochloric Acid SCHEMBL29688683 0.78 CHEK2 (0.37) CHEK1KCNH2PAK1JAK3BRD4

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 4792/4885KCNH2 4628/4885NOS3 94/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CHEK1 4797/4885KCNH2 4559/4885NOS3 74/4885

“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.