SCHEMBL20135232

SCHEMBL20135232

Cc1cnc2c(ccn2C2CCNCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 8/20 0.42
CHEK1 O14757 7/20 0.42
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
PIM1 P11309 1/20 0.36
TTK P33981 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
NSD3 Q9BZ95 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
DGAT1 O75907 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KHK P50053 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL29688584 0.92 CHEK2 (0.37) CHEK2CHEK1JAK2JAK1KHK
SCHEMBL20135304 0.92 CHEK2 (0.37) CHEK2CHEK1JAK2JAK1KHK
SCHEMBL18379156 0.90 CCR1 (0.40) TTKCCR1CCR5CCR8DGAT1
SCHEMBL15339564 0.79 DGAT1 (0.45) TTKCCR1CCR5CCR8DGAT1
SCHEMBL15833535 0.78 CHEK2 (0.39) CHEK2CHEK1JAK2JAK1PIM1
SCHEMBL20135460 0.75 KDM4C (0.43) CHEK2CHEK1KDM4CKDM1A
SCHEMBL19928091 0.72 CHEK2 (0.38) CHEK2CHEK1JAK2JAK1TTK
SCHEMBL14062351 0.71 ENPP3 (0.39) DGAT1
SCHEMBL21958555 0.71 DGAT1 (0.38) TTKDGAT1
SCHEMBL23937881 0.71 PARP1 (0.37) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
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 4792/4885JAK2 91/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CHEK2 4390/4885CHEK1 4797/4885JAK2 73/4885

“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.