SCHEMBL20134820

SCHEMBL20134820

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.38
CHEK1 O14757 6/20 0.38
PAK1 Q13153 2/20 0.38
KCNH2 Q12809 2/20 0.36
CNR2 P34972 1/20 0.35
DPP8 Q6V1X1 3/20 0.34
DPP9 Q86TI2 3/20 0.34
DPP7 Q9UHL4 2/20 0.34
TXK P42681 1/20 0.33
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
ITK Q08881 1/20 0.33
SYK P43405 1/20 0.33
DPP4 P27487 3/20 0.32
SSTR4 P31391 1/20 0.32
BRD4 O60885 1/20 0.32
ATAD2 Q6PL18 1/20 0.32

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 SCHEMBL29688683 0.99 CHEK2 (0.37) CHEK2CHEK1PAK1KCNH2CNR2
SCHEMBL20135028 0.86 CHEK2 (0.51) CHEK2CHEK1PAK1CNR2DPP8
SCHEMBL20135063 0.79 CHEK1 (0.33) CHEK2CHEK1PAK1KCNH2JAK3
SCHEMBL20134889 0.79 CHEK1 (0.33) CHEK2CHEK1PAK1KCNH2JAK3
SCHEMBL20135148 0.78 CHEK1 (0.41) CHEK2CHEK1PAK1CNR2JAK3
Hydrochloric Acid SCHEMBL29688904 0.78 CHEK1 (0.32) CHEK2CHEK1PAK1KCNH2JAK3
Hydrochloric Acid SCHEMBL29688682 0.78 CHEK1 (0.32) CHEK2CHEK1PAK1KCNH2JAK3
SCHEMBL20134866 0.76 CHEK1 (0.42) CHEK2CHEK1PAK1SSTR4
Hydrochloric Acid SCHEMBL29688666 0.75 CHEK1 (0.42) CHEK2CHEK1PAK1SSTR4
SCHEMBL20135318 0.72 CHEK2 (0.31) CHEK2CHEK1BTK

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 5 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-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
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 4792/4885PAK1 2256/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CHEK2 4390/4885CHEK1 4797/4885PAK1 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.