SCHEMBL17413141

SCHEMBL17413141

Cc1c[nH]c2ncc(-c3cc([C@H]4[C@@H]5CN(C6COC6)C[C@@H]54)n(C(C)C)n3)cc12

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.78
DLK1 P80370 2/20 0.78

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
SCHEMBL17407493 0.91 MAP3K12 (0.86) MAP3K12DLK1
SCHEMBL17388020 0.88 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL15890036 0.88 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL19921642 0.88 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL17388092 0.88 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL19921631 0.88 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL19921715 0.88 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL15890043 0.88 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL15890053 0.86 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL15882742 0.85 MAP3K12 (1.00) MAP3K12DLK1

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-9550777-B2 3-substituted pyrazoles and use as DLK inhibitors GENENTECH, INC. (US) 2017-01-24 US disclosed
US-20160002228-A1 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS GENENTECH, INC. (US) 2016-01-07 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-20160002228-A1 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS PDXK, NLK, PDK3 MAP3K12 128/4885DLK1 15/4885

“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.