SCHEMBL19629503

SCHEMBL19629503

CCn1cc(-c2cnn(COCCS(C)(C)C)c2)c2cc(Br)cc(C#N)c21

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
AR P10275 1/20 0.31
XDH P47989 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
SCHEMBL19626241 0.88 DGAT1 (0.33) XDH
SCHEMBL19629422 0.86 KCNH2 (0.32)
SCHEMBL19629564 0.84 PDE3B (0.37)
SCHEMBL19629569 0.83 CHUK (0.37)
SCHEMBL19629553 0.80 DYRK1A (0.38) CREBBPNR3C1PGRNR3C2AR
SCHEMBL19114543 0.76 CHUK (0.35) CREBBPNR3C1PGRNR3C2AR
SCHEMBL19626239 0.73 DGAT1 (0.36)
SCHEMBL19629554 0.73 PDK1 (0.37) CREBBP
SCHEMBL19629490 0.72 DYRK1A (0.49)
SCHEMBL19629511 0.72 DYRK1A (0.39)

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-9981962-B2 Pyrazole derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
US-20170334900-A1 NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2017-11-23 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-20170334900-A1 NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K21 CREBBP 594/4885NR3C1 1220/4885PGR 3052/4885

“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.