SCHEMBL4445840

SCHEMBL4445840

O=C1NCC/C1=C1/CCCn2cncc21

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.30
PKN1 Q16512 1/20 0.30
PKN2 Q16513 1/20 0.30

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
SCHEMBL3210392 1.00 CDC7 (0.30) CDC7PKN1PKN2
SCHEMBL3210387 1.00 CDC7 (0.30) CDC7PKN1PKN2
SCHEMBL2316760 0.74 ALDH1A1 (0.47) CDC7
SCHEMBL1737418 0.72 IDO1 (0.34)
SCHEMBL947045 0.64
SCHEMBL25431616 0.62 IDO1 (0.35)
SCHEMBL18366014 0.62 CRBN (0.37)
SCHEMBL3933129 0.60
SCHEMBL20155054 0.58 MAP2K1 (0.42)
SCHEMBL19359650 0.58 MAP2K1 (0.42)

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-7612088-B2 Heterocyclic compounds and their use as aldosterone synthase inhibitors SPEEDEL EXPERIMENTA AG (CH) 2009-11-03 US disclosed
US-20080318978-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2008-12-25 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-20080318978-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP11B2, CYP21A2 CDC7 2721/4885PKN1 377/4885PKN2 430/4885

“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.