SCHEMBL19629564

SCHEMBL19629564

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PIK3CA P42336 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL19629422 0.89 KCNH2 (0.32) LRRK2
SCHEMBL19626240 0.88 PDE3B (0.40) PDE3BPDE3A
SCHEMBL19629503 0.84 CREBBP (0.31)
SCHEMBL19629581 0.83 CHUK (0.36) PDE3BPDE3A
SCHEMBL19629553 0.81 DYRK1A (0.38) LRRK2
SCHEMBL19114543 0.77 CHUK (0.35) LRRK2
SCHEMBL19626239 0.76 DGAT1 (0.36)
SCHEMBL19629499 0.74 CHUK (0.37)
SCHEMBL20193244 0.74 PIK3CD (0.33)
SCHEMBL19629554 0.73 PDK1 (0.37) LRRK2

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 PDE3B 2112/4885PDE3A 2578/4885PIK3CA 334/4885

“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.