SCHEMBL17547816

SCHEMBL17547816

C=CC(=O)N1CC=C(c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 2/20 0.42
▸ CDK13 Q14004 7/20 0.36
▸ CDK7 P50613 6/20 0.36
▸ CDK12 Q9NYV4 5/20 0.36
▸ PLAT P00750 2/20 0.36
▸ BTK Q06187 3/20 0.35
▸ JAK1 P23458 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ ADAM10 O14672 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ KDM5A P29375 2/20 0.31
▸ NAMPT P43490 1/20 0.31

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
SCHEMBL17547824 0.91 KDM5B (0.41) KDM5BCDK13CDK7CDK12PLAT
SCHEMBL17547814 0.90 PLAT (0.37) KDM5BPLATADAM10MMP2KDM5A
SCHEMBL17547815 0.87 NAMPT (0.36) KDM5BPLATJAK1JAK2JAK3
SCHEMBL17547817 0.86 PLAT (0.39) KDM5BPLATKDM5A
SCHEMBL16092544 0.85 KDM5B (0.42) KDM5BCDK13CDK7CDK12PLAT
SCHEMBL16092288 0.82 PLAT (0.38) KDM5BPLATKDM5A
SCHEMBL16092287 0.80 PLAT (0.37) KDM5BPLATKDM5ANAMPT
SCHEMBL17547843 0.78 PLAT (0.40) KDM5BPLATKDM5A
SCHEMBL16092399 0.78 TBK1 (0.37) KDM5BPLATKDM5A
SCHEMBL16092289 0.77 PLAT (0.35) KDM5BPLATKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 — — US disclosed
US-10035801-B2 Pyrazolo compounds and uses thereof GENENTECH, INC. (US) 2018-07-31 — — US disclosed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 — — US disclosed
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-03-03 — — 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 (2 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-10035801-B2 Pyrazolo compounds and uses thereof KDM5A, KDM5C, KDM5B KDM5B 3/4885CDK13 1778/4885CDK7 644/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5B 3/4885CDK13 1778/4885CDK7 644/4885

“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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