SCHEMBL16092290

SCHEMBL16092290

CCC(=O)N1CCC=C(c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 8/20 0.34
▸ PLAT P00750 3/20 0.34
▸ KDM5B Q9UGL1 3/20 0.34
▸ JAK1 P23458 1/20 0.32
▸ RET P07949 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL16092287 0.91 PLAT (0.37) KDM5APLATKDM5BRETKDM4E
SCHEMBL16092289 0.90 PLAT (0.35) KDM5APLATKDM5B
SCHEMBL16092544 0.87 KDM5B (0.42) KDM5APLATKDM5B
SCHEMBL17547815 0.85 NAMPT (0.36) KDM5APLATKDM5BJAK1RET
SCHEMBL16092546 0.85 KDM5B (0.44) KDM5APLATKDM5B
SCHEMBL16092288 0.82 PLAT (0.38) KDM5APLATKDM5BRET
SCHEMBL17547824 0.80 KDM5B (0.41) KDM5APLATKDM5B
SCHEMBL17547823 0.78 PLAT (0.40) KDM5APLATKDM5B
SCHEMBL16092399 0.78 TBK1 (0.37) KDM5APLATKDM5BRET
SCHEMBL17547814 0.77 PLAT (0.37) KDM5APLATKDM5BRETKDM4E

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 6 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
WO-2015135094-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2015-09-17 — — WO disclosed
WO-2014139326-A1 PYRAZOLO COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-09-18 — — 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 (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 KDM5A 1/4885PLAT 4107/4885KDM5B 3/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5A 1/4885PLAT 4107/4885KDM5B 3/4885

“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.

Send feedback