SCHEMBL20135148

SCHEMBL20135148

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
CHEK2 O96017 1/20 0.41
BTK Q06187 2/20 0.36
PAK1 Q13153 1/20 0.33
BRD4 O60885 4/20 0.32
ATAD2 Q6PL18 4/20 0.32
TAF1 P21675 2/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
CNR2 P34972 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 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
SCHEMBL20135318 0.86 CHEK2 (0.31) CHEK1CHEK2BTKNOS3NOS1
Hydrochloric Acid SCHEMBL29689054 0.85 CHEK1 (0.31) CHEK1CHEK2
SCHEMBL20135063 0.82 CHEK1 (0.33) CHEK1CHEK2PAK1BRD4ATAD2
SCHEMBL20134889 0.82 CHEK1 (0.33) CHEK1CHEK2PAK1BRD4ATAD2
Hydrochloric Acid SCHEMBL29688904 0.81 CHEK1 (0.32) CHEK1CHEK2PAK1BRD4ATAD2
Hydrochloric Acid SCHEMBL29688682 0.81 CHEK1 (0.32) CHEK1CHEK2PAK1BRD4ATAD2
SCHEMBL20134866 0.79 CHEK1 (0.42) CHEK1CHEK2PAK1
SCHEMBL20134820 0.78 CHEK2 (0.38) CHEK1CHEK2BTKPAK1BRD4
Hydrochloric Acid SCHEMBL29688666 0.78 CHEK1 (0.42) CHEK1CHEK2PAK1
SCHEMBL20135028 0.77 CHEK2 (0.51) CHEK1CHEK2BTKPAK1CNR2

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 4437/4885BTK 998/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CHEK1 4797/4885CHEK2 4390/4885BTK 872/4885

“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.