SCHEMBL18403196

SCHEMBL18403196

N#Cc1cc(-c2cc([C@@]34C5[C@H]3[C@H]4CN5C3COC3)n(C3CCCC3)n2)cnc1N

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 19/20 0.60
ALOX5AP P20292 1/20 0.42

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
SCHEMBL18403217 1.00 MAP3K12 (0.60) MAP3K12ALOX5AP
SCHEMBL18403367 0.87 MAP3K12 (0.60) MAP3K12
SCHEMBL18685601 0.87 MAP3K12 (0.60) MAP3K12
SCHEMBL18403299 0.87 MAP3K12 (0.58) MAP3K12
SCHEMBL19937929 0.85 MAP3K12 (0.58) MAP3K12
SCHEMBL18403305 0.85 MAP3K12 (0.58) MAP3K12
SCHEMBL18403243 0.85 MAP3K12 (0.60) MAP3K12ALOX5AP
SCHEMBL19939288 0.85 MAP3K12 (0.60) MAP3K12
SCHEMBL19937999 0.85 MAP3K12 (0.60) MAP3K12
SCHEMBL18403292 0.83 MAP3K12 (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10028942-B2 3-substituted pyrazoles and uses thereof GENENTECH, INC. (US) 2018-07-24 US disclosed
EP-2945938-B1 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS HOFFMANN LA ROCHE (CH) 2018-03-07 EP disclosed
US-20170087137-A1 3-SUBSTITUTED PYRAZOLES AND USES THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-9550777-B2 3-substituted pyrazoles and use as DLK inhibitors GENENTECH, INC. (US) 2017-01-24 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 (2 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-20170087137-A1 3-SUBSTITUTED PYRAZOLES AND USES THEREOF PDXK, NLK, PDK3 MAP3K12 235/4885ALOX5AP 2408/4885
US-10028942-B2 3-substituted pyrazoles and uses thereof PDXK, NLK, PDK3 MAP3K12 235/4885ALOX5AP 2408/4885

“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.