SCHEMBL7040422

SCHEMBL7040422

Cn1ncc2c1-c1c(Oc3cccnc3)sc(C(N)=O)c1CC2

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNC P24863 20/20 0.73
CDK8 P49336 20/20 0.73
CDK19 Q9BWU1 20/20 0.73
CDK9 P50750 1/20 0.44
MAP3K19 Q56UN5 1/20 0.44
HIPK1 Q86Z02 1/20 0.44
HASPIN Q8TF76 1/20 0.44
DYRK1B Q9Y463 1/20 0.44

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
SCHEMBL7038809 0.91 CCNC (0.61) CCNCCDK8CDK19CDK9MAP3K19
SCHEMBL7041310 0.90 CCNC (0.72) CCNCCDK8CDK19CDK9MAP3K19
Hydrochloric Acid SCHEMBL7094343 0.88 CCNC (0.57) CCNCCDK8CDK19CDK9MAP3K19
SCHEMBL7036281 0.87 CCNC (0.59) CCNCCDK8CDK19
SCHEMBL15104953 0.86 CCNC (0.73) CCNCCDK8CDK19CDK9MAP3K19
SCHEMBL15104799 0.86 CCNC (0.68) CCNCCDK8CDK19CDK9MAP3K19
SCHEMBL7036696 0.86 CCNC (0.69) CCNCCDK8CDK19CDK9MAP3K19
SCHEMBL7242836 0.85 CCNC (0.68) CCNCCDK8CDK19CDK9MAP3K19
SCHEMBL7246810 0.85 CCNC (0.77) CCNCCDK8CDK19CDK9MAP3K19
SCHEMBL7246947 0.85 CCNC (0.68) CCNCCDK8CDK19CDK9MAP3K19

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
US-20030158245-A1 Fused heterocyclic derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 US claimed
EP-2617726-A1 DIABETES THERAPEUTIC AGENT Takeda Pharmaceutical Company Limited (JP) 2013-07-24 EP disclosed
US-20130184272-A1 DIABETES THERAPEUTIC AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-18 US disclosed
US-20030185878-A1 Process for producing phospholipid-containing drug TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
US-20030158245-A1 Fused heterocyclic derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 US disclosed
EP-1293197-A1 PROCESS FOR PRODUCING PHOSPHOLIPID-CONTAINING DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 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 (3 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-20030185878-A1 Process for producing phospholipid-containing drug PHOSPHO1, PLTP, PTDSS2 CCNC 3385/4885CDK8 2673/4885CDK19 3344/4885
US-20130184272-A1 DIABETES THERAPEUTIC AGENT FABP4, GPR119, CPT1B CCNC 3196/4885CDK8 4502/4885CDK19 4521/4885
US-20030158245-A1 Fused heterocyclic derivatives, their production and use TST, STS, AHR CCNC 2012/4885CDK8 3614/4885CDK19 2184/4885

“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.