SCHEMBL17388000

SCHEMBL17388000

COc1cc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(C(C)C)n2)cnc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 1.00
MAP3K13 O43283 1/20 0.80
STK16 O75716 1/20 0.80
PAK4 O96013 1/20 0.80
NTRK1 P04629 1/20 0.80
FLT3 P36888 1/20 0.80
MAP3K9 P80192 1/20 0.80
MAP3K10 Q02779 1/20 0.80

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
SCHEMBL19921679 1.00 MAP3K12 (1.00) MAP3K12MAP3K13STK16PAK4NTRK1
SCHEMBL15890009 1.00 MAP3K12 (1.00) MAP3K12MAP3K13STK16PAK4NTRK1
SCHEMBL15889975 0.91 MAP3K12 (1.00) MAP3K12MAP3K13STK16PAK4NTRK1
SCHEMBL19921696 0.91 MAP3K12 (1.00) MAP3K12MAP3K13STK16PAK4NTRK1
SCHEMBL17388011 0.91 MAP3K12 (1.00) MAP3K12MAP3K13STK16PAK4NTRK1
SCHEMBL17388074 0.90 MAP3K12 (1.00) MAP3K12MAP3K13STK16PAK4NTRK1
SCHEMBL19921674 0.90 MAP3K12 (1.00) MAP3K12MAP3K13STK16PAK4NTRK1
SCHEMBL15890023 0.90 MAP3K12 (1.00) MAP3K12MAP3K13STK16PAK4NTRK1
SCHEMBL22336755 0.89 MAP3K12 (1.00) MAP3K12MAP3K13STK16PAK4NTRK1
SCHEMBL31181444 0.89 MAP3K12 (1.00) MAP3K12MAP3K13STK16PAK4NTRK1

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 10 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 claimed
EP-2945938-B1 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS HOFFMANN LA ROCHE (CH) 2018-03-07 EP claimed
US-20170087137-A1 3-SUBSTITUTED PYRAZOLES AND USES THEREOF GENENTECH, INC. (US) 2017-03-30 US claimed
US-9550777-B2 3-substituted pyrazoles and use as DLK inhibitors GENENTECH, INC. (US) 2017-01-24 US claimed
US-20160002228-A1 3-SUBSTITUTED PYRAZOLES AND USE AS DLK INHIBITORS GENENTECH, INC. (US) 2016-01-07 US claimed
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
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 (3 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 128/4885MAP3K13 101/4885STK16 72/4885
US-20170087137-A1 3-SUBSTITUTED PYRAZOLES AND USES THEREOF PDXK, NLK, PDK3 MAP3K12 235/4885MAP3K13 195/4885STK16 153/4885
US-10028942-B2 3-substituted pyrazoles and uses thereof PDXK, NLK, PDK3 MAP3K12 235/4885MAP3K13 195/4885STK16 153/4885

“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.