SCHEMBL20135638

SCHEMBL20135638

Cc1cnc(NC2CCNCC2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.50
ATAD2 Q6PL18 18/20 0.50
BRD2 P25440 2/20 0.50
BRD3 Q15059 2/20 0.50
BRDT Q58F21 2/20 0.50
TAF1 P21675 1/20 0.50
CYP1A2 P05177 2/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL20135621 0.91 BRD4 (0.50) BRD4ATAD2BRD2BRD3BRDT
SCHEMBL20134803 0.91 BRD4 (0.50) BRD4ATAD2BRD2BRD3BRDT
SCHEMBL20134805 0.91 BRD4 (0.50) BRD4ATAD2BRD2BRD3BRDT
Hydrochloric Acid SCHEMBL29688363 0.89 BRD4 (0.49) BRD4ATAD2BRD2BRD3BRDT
SCHEMBL27101676 0.84 BRD4 (0.46) BRD4ATAD2BRD2BRD3BRDT
SCHEMBL31736992 0.76 MAPK1 (0.64) BRD4ATAD2CYP1A2MEN1CYP3A4
SCHEMBL1842397 0.74 RAPGEF4 (0.46) BRD4ATAD2CYP1A2MEN1CYP3A4
SCHEMBL20135063 0.74 CHEK1 (0.33) BRD4ATAD2BRD2BRD3BRDT
SCHEMBL20134889 0.74 CHEK1 (0.33) BRD4ATAD2BRD2BRD3BRDT
SCHEMBL20135148 0.74 CHEK1 (0.41) BRD4ATAD2BRD2BRD3BRDT

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 7 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
WO-2022114812-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2022-06-02 WO 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 BRD4 982/4885ATAD2 2311/4885BRD2 770/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 BRD4 1494/4885ATAD2 2574/4885BRD2 1013/4885

“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.