SCHEMBL18685602

SCHEMBL18685602

CC12CN(C3COC3)C[C@H]1[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1CC1CCC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 0.71
MAP3K13 O43283 1/20 0.66
NTRK1 P04629 1/20 0.66
CSF1R P07333 1/20 0.66
AXL P30530 1/20 0.66
FLT3 P36888 1/20 0.66
MAP3K9 P80192 1/20 0.66
MAP3K10 Q02779 1/20 0.66
DMPK Q09013 1/20 0.66
EPHA7 Q15375 1/20 0.66

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
SCHEMBL18685636 0.97 MAP3K12 (0.71) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL18403303 0.85 MAP3K12 (0.69) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL15890019 0.83 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL19921685 0.83 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL17388002 0.83 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL18403304 0.80 MAP3K12 (0.70) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL17388052 0.80 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL15889987 0.80 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL29728248 0.80 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL
SCHEMBL19921666 0.80 MAP3K12 (1.00) MAP3K12MAP3K13NTRK1CSF1RAXL

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-10028942-B2 3-substituted pyrazoles and uses thereof GENENTECH, INC. (US) 2018-07-24 US 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 235/4885MAP3K13 195/4885NTRK1 702/4885
US-10028942-B2 3-substituted pyrazoles and uses thereof PDXK, NLK, PDK3 MAP3K12 235/4885MAP3K13 195/4885NTRK1 702/4885

“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.