SCHEMBL16003583

SCHEMBL16003583

CC(C)(C)OC(=O)NC1CCn2cc(Br)nc2C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.47
▸ KCNA3 P22001 1/20 0.44
▸ CKS1B P61024 1/20 0.43
▸ SKP1 P63208 1/20 0.43
▸ SKP2 Q13309 1/20 0.43
▸ SUV39H2 Q9H5I1 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ BTK Q06187 2/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PARP1 P09874 3/20 0.40
▸ KDM4D Q6B0I6 3/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ CCR5 P51681 1/20 0.38

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
SCHEMBL26429578 0.84 CTSK (0.46) CTSKKCNA3CKS1BSKP1SKP2
SCHEMBL16340873 0.82 PDE10A (0.40) KMT2A
SCHEMBL16003828 0.77 CTSK (0.48) CTSKKCNA3CKS1BSKP1SKP2
SCHEMBL16003606 0.76 PDE10A (0.58) KCNA3CKS1BSKP1SKP2PARP1
SCHEMBL2801999 0.73 SUV39H2 (0.52) CTSKCKS1BSKP1SKP2SUV39H2
SCHEMBL1592531 0.71 CKS1B (0.60) KCNA3CKS1BSKP1SKP2SUV39H2
SCHEMBL12291575 0.71 CKS1B (0.49) CTSKKCNA3CKS1BSKP1SKP2
SCHEMBL11985018 0.71 KCNA3 (0.50) CTSKKCNA3CKS1BSKP1SKP2
SCHEMBL16682477 0.71 CKS1B (0.51) CTSKKCNA3CKS1BSKP1SKP2
SCHEMBL30670681 0.70 KMT2A (0.45) CTSKCKS1BSKP1SKP2KMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 — — US disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 — — US disclosed
US-9458157-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 — — US disclosed
US-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 — — US disclosed
US-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 — — US disclosed
US-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 — — US disclosed
US-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-14 — — US disclosed
US-20150132327-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-14 — — US disclosed
US-8980888-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 — — US disclosed
US-8980889-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 — — US disclosed
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 — — US disclosed
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 — — US disclosed
WO-2014133046-A1 NOVEL PYRAZOLE DERIVATIVE 持田製薬株式会社 (JP) 2014-09-04 — — WO 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 (6 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-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CTSK 1320/4885KCNA3 2382/4885CKS1B 2123/4885
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CTSK 1320/4885KCNA3 2382/4885CKS1B 2123/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CTSK 1320/4885KCNA3 2382/4885CKS1B 2123/4885
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CTSK 1320/4885KCNA3 2382/4885CKS1B 2123/4885
US-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CTSK 1320/4885KCNA3 2382/4885CKS1B 2123/4885
US-20150132327-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CTSK 1320/4885KCNA3 2382/4885CKS1B 2123/4885

“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.

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