SCHEMBL17407482

SCHEMBL17407482

CC(=O)C1CCC(c2cc(I)nn2C)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.34
PSMB9 P28065 1/20 0.34
MAP3K12 Q12852 2/20 0.33
CDK7 P50613 1/20 0.31
CCNH P51946 1/20 0.31
MNAT1 P51948 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL18403238 0.83 SMN1; SMN2 (0.37) PSMB8PSMB9MAP3K12KDM4EALDH1A1
SCHEMBL15890100 0.81 MAP3K12 (0.49) MAP3K12KDM4EALDH1A1
SCHEMBL17387977 0.77 MAP3K12 (0.44) PSMB8PSMB9MAP3K12KDM4E
SCHEMBL15882679 0.74 PLAT (0.39) MAP3K12
SCHEMBL17454466 0.72 PSMB8 (0.45) PSMB8PSMB9MAP3K12ALDH1A1PDK1
SCHEMBL27217239 0.72 KDM1A (0.39) PSMB8PSMB9
SCHEMBL10203516 0.69 PSMB8 (0.45) PSMB8PSMB9KDM4EALDH1A1PDK1
SCHEMBL19902361 0.69 RIPK1 (0.49) PSMB8PSMB9MAP3K12PDK1PDK2
SCHEMBL2795047 0.68 PSMB8 (0.44) PSMB8PSMB9MAP3K12ALDH1A1PDK1
SCHEMBL15890082 0.68 MAP3K12 (0.47) 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 3 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-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 PSMB8 3668/4885PSMB9 3451/4885MAP3K12 128/4885

“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.