SCHEMBL20135304

SCHEMBL20135304

Cc1cnc2c(ccn2[C@H]2CCNC2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.37
CHEK1 O14757 1/20 0.37
KHK P50053 1/20 0.36
BRD4 O60885 2/20 0.36
SRC P12931 5/20 0.36
EGFR P00533 4/20 0.36
ABL1 P00519 3/20 0.35
ABL2 P42684 3/20 0.35
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
HTR6 P50406 2/20 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 1.00 CHEK2 (0.37) CHEK2CHEK1KHKBRD4SRC
SCHEMBL20135232 0.92 CHEK2 (0.42) CHEK2CHEK1KHKJAK2JAK1
SCHEMBL18379156 0.84 CCR1 (0.40) SRC
SCHEMBL15339564 0.77 DGAT1 (0.45) BRD4
SCHEMBL15833535 0.70 CHEK2 (0.39) CHEK2CHEK1SRCJAK2JAK1
SCHEMBL4063072 0.69 HTR6 (0.51) HTR6
SCHEMBL565497 0.68 JAK2 (0.56) JAK2JAK1
SCHEMBL11786311 0.67 HTR2A (0.38) BRD4SRCEGFRABL1ABL2
SCHEMBL20135460 0.67 KDM4C (0.43) CHEK2CHEK1BRD4KDM1A
SCHEMBL15833536 0.67 PRMT5 (0.36) SRC

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 4792/4885KHK 4113/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CHEK2 4390/4885CHEK1 4797/4885KHK 4205/4885

“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.