SCHEMBL19629490

SCHEMBL19629490

COCCn1cc(-c2cnn(COCCS(C)(C)C)c2)c2cc(Br)ccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.49
GSK3B P49841 7/20 0.42
NFATC1 O95644 1/20 0.40
FEN1 P39748 1/20 0.36
QPCT Q16769 5/20 0.35
CHUK O15111 1/20 0.34
PTGER4 P35408 3/20 0.33
IDO1 P14902 2/20 0.33
KCNH2 Q12809 1/20 0.32
LIPC P11150 1/20 0.32

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
SCHEMBL19629511 0.90 DYRK1A (0.39) DYRK1AGSK3BNFATC1FEN1QPCT
SCHEMBL19629553 0.90 DYRK1A (0.38) DYRK1AGSK3BQPCTIDO1
SCHEMBL19629554 0.89 PDK1 (0.37) DYRK1AGSK3BKCNH2
SCHEMBL19626271 0.87 DYRK1A (0.50) DYRK1AGSK3BNFATC1FEN1QPCT
SCHEMBL20193217 0.86 DYRK1A (0.40) DYRK1AGSK3BNFATC1FEN1CHUK
SCHEMBL19629510 0.86 CHUK (0.36) DYRK1AGSK3BFEN1QPCTCHUK
SCHEMBL19629559 0.84 PDE4B (0.41) DYRK1AGSK3BNFATC1
SCHEMBL19629489 0.83 CHUK (0.36) DYRK1AGSK3BQPCTCHUK
SCHEMBL19629491 0.81 CHUK (0.47) DYRK1AGSK3BNFATC1FEN1CHUK
SCHEMBL20193214 0.81 CHUK (0.41) DYRK1AGSK3BNFATC1FEN1CHUK

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 DYRK1A 1349/4885GSK3B 476/4885NFATC1 181/4885

“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.