SCHEMBL18662172

SCHEMBL18662172

CCN1CC(c2cc(-c3cnc4[nH]cc(C(F)(F)F)c4c3)nn2C(C)C)C1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.77
DLK1 P80370 3/20 0.74

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
SCHEMBL19921699 0.92 MAP3K12 (0.82) MAP3K12DLK1
SCHEMBL15882678 0.87 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL15882600 0.86 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL15882777 0.85 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL15882739 0.83 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL19921669 0.83 MAP3K12 (0.77) MAP3K12DLK1
SCHEMBL15882748 0.83 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL15882480 0.81 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL15882525 0.81 MAP3K12 (1.00) MAP3K12DLK1
SCHEMBL17388020 0.81 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 3 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

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 235/4885DLK1 25/4885
US-10028942-B2 3-substituted pyrazoles and uses thereof PDXK, NLK, PDK3 MAP3K12 235/4885DLK1 25/4885

“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.