SCHEMBL16092521

SCHEMBL16092521

Cc1ccc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 9/20 0.39
▸ PLAT P00750 3/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ AR P10275 4/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KDM5C P41229 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33

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
SCHEMBL17547833 0.92 KDM5A (0.39) KDM5APLATARALDH1A1GLA
SCHEMBL17547832 0.92 KDM5A (0.41) KDM5APLATARPDE3BPDE3A
SCHEMBL17547805 0.88 KDM5A (0.39) KDM5APLATALDH1A1KDM5CKDM4C
SCHEMBL16092328 0.88 KDM5A (0.39) KDM5APLATKDM5CKDM4CKDM5B
SCHEMBL16092525 0.88 KDM5A (0.40) KDM5AARCTSSCTSKGLA
SCHEMBL16092333 0.86 NOTUM (0.39) KDM5APLATNOTUMPDE3BPDE3A
SCHEMBL16092342 0.86 KDM5A (0.40) KDM5AARALDH1A1GLAGAA
SCHEMBL17547826 0.86 KDM5A (0.39) KDM5APLATKDM5CKDM4CKDM5B
SCHEMBL16092244 0.85 KDM5A (0.52) KDM5APLATKDM5CKDM4CKDM5B
SCHEMBL16092292 0.84 NOTUM (0.39) KDM5APLATNOTUM

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 4107/4885NOTUM 1505/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5A 1/4885PLAT 4107/4885NOTUM 1505/4885

“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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