SCHEMBL20135514

SCHEMBL20135514

CCC1(c2ccc(C(=O)N3CCC(Nc4ncc(C)cc4C)C3)cc2)CC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK12 Q9NYV4 14/20 0.44
CCNK O75909 13/20 0.44
PAK1 Q13153 2/20 0.42
CDK7 P50613 8/20 0.42
CCNH P51946 8/20 0.42
MNAT1 P51948 8/20 0.42
CCNA2 P20248 7/20 0.42
CDK2 P24941 7/20 0.42
CYP19A1 P11511 1/20 0.40

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
SCHEMBL20135509 1.00 CDK12 (0.44) CDK12CCNKPAK1CDK7CCNH
SCHEMBL20134870 0.84 CDK12 (0.44) CDK12CCNKPAK1CDK7CCNH
SCHEMBL20134868 0.84 CDK12 (0.44) CDK12CCNKPAK1CDK7CCNH
SCHEMBL20135326 0.83 CCNK (0.39) CDK12CCNKPAK1CDK7CCNH
SCHEMBL20135333 0.83 CCNK (0.39) CDK12CCNKPAK1CDK7CCNH
SCHEMBL20135468 0.82 CYP19A1 (0.42) CYP19A1
SCHEMBL29689169 0.82 CYP19A1 (0.42) CYP19A1
SCHEMBL20134960 0.82 CYP19A1 (0.42) CYP19A1
SCHEMBL20134962 0.82 CYP19A1 (0.42) CYP19A1
SCHEMBL20135617 0.81 CCNK (0.46) CDK12CCNKPAK1CDK7CCNH

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 CDK12 2429/4885CCNK 2686/4885PAK1 2256/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 CDK12 2332/4885CCNK 2435/4885PAK1 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.