SCHEMBL16766968

SCHEMBL16766968

CC(C)(C)[C@@]1(c2nc3cc(Br)sc3c(=O)[nH]2)CCCCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.33
ROCK1 Q13464 6/20 0.33
DBF4 Q9UBU7 6/20 0.33
CCNE1 P24864 4/20 0.33
CDK2 P24941 4/20 0.33
SPR P35270 3/20 0.33
HCRTR1 O43613 5/20 0.31
HCRTR2 O43614 5/20 0.31

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
SCHEMBL16766294 1.00 CDC7 (0.33) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL16766859 0.99 CDC7 (0.33) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL16766892 0.99 CDC7 (0.33) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL16766249 0.97 CDC7 (0.33) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL16766291 0.97 CDC7 (0.33) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL16766796 0.93 CDC7 (0.33) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL16766537 0.83 CDC7 (0.32) CDC7ROCK1DBF4CCNE1CDK2
SCHEMBL16766453 0.82
SCHEMBL14343751 0.82 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL14343400 0.82 HCRTR1 (0.41) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388195-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-12 US disclosed
US-20150158882-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2015-06-11 US 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 (1 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-20150158882-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT CDC7 929/4885ROCK1 2779/4885DBF4 1913/4885

“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.