SCHEMBL16568693

SCHEMBL16568693

CC(=O)N1CCC(c2cc(Nc3cc(C4CC4)ccn3)nc(N3CCCC3C)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 20/20 0.59
▸ DLK1 P80370 1/20 0.54
▸ DRG1 Q9Y295 1/20 0.54

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
SCHEMBL15602409 1.00 MAP3K12 (0.59) MAP3K12DLK1DRG1
SCHEMBL15602526 0.90 MAP3K12 (0.68) MAP3K12DLK1DRG1
SCHEMBL19910124 0.90 MAP3K12 (0.68) MAP3K12DLK1DRG1
SCHEMBL15602434 0.89 MAP3K12 (0.75) MAP3K12
SCHEMBL19910123 0.89 MAP3K12 (0.56) MAP3K12DLK1DRG1
SCHEMBL16568100 0.89 MAP3K12 (0.75) MAP3K12
SCHEMBL16220464 0.87 MAP3K12 (0.77) MAP3K12
SCHEMBL22227604 0.87 MAP3K12 (0.77) MAP3K12
SCHEMBL19910126 0.81 MAP3K12 (0.56) MAP3K12DLK1DRG1
SCHEMBL19910217 0.81 MAP3K12 (0.53) MAP3K12

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
EP-2852584-B1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2018-02-28 — — EP disclosed
US-9399636-B2 Substituted dipyridylamines and uses thereof GENENTECH, INC. (US) 2016-07-26 — — US disclosed
US-20150080367-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF GENENTECH, INC. (US) 2015-03-19 — — 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-20150080367-A1 SUBSTITUTED DIPYRIDYLAMINES AND USES THEREOF PDXK, PRMT1, DMPK MAP3K12 367/4885DLK1 24/4885DRG1 609/4885

“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.

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