SCHEMBL16092398

SCHEMBL16092398

COc1cc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)ccc1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 8/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ PLAT P00750 1/20 0.37
▸ TLR7 Q9NYK1 8/20 0.36
▸ TLR8 Q9NR97 7/20 0.36
▸ TLR9 Q9NR96 5/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM5C P41229 1/20 0.35
▸ KDM5D Q9BY66 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ PHF8 Q9UPP1 1/20 0.35
▸ F11 P03951 1/20 0.35

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
SCHEMBL17547807 0.92 KDM5A (0.38) KDM5ATLR7TLR8TLR9KDM6B
SCHEMBL16092379 0.92 TLR7 (0.42) TLR7TLR8TLR9
SCHEMBL16092418 0.92 AR (0.41) KDM5ATLR7TLR8TLR9KDM6B
SCHEMBL17547805 0.89 KDM5A (0.39) KDM5APLATKDM6BKDM5CKDM5D
SCHEMBL16092328 0.89 KDM5A (0.39) KDM5APLATKDM6BKDM5CKDM5D
SCHEMBL16092358 0.87 GRM2 (0.43) KDM5APLATTLR7TLR8TLR9
SCHEMBL16092342 0.87 KDM5A (0.40) KDM5ATLR7TLR8TLR9KDM5C
SCHEMBL17547826 0.87 KDM5A (0.39) KDM5APLATKDM6BKDM5CKDM5D
SCHEMBL16092427 0.86 PIK3CA (0.36) KDM5APLATTLR7TLR8TLR9
SCHEMBL16092525 0.85 KDM5A (0.40) KDM5ATLR7TLR8

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 1/4885S1PR1 1793/4885PLAT 4107/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5A 1/4885S1PR1 1793/4885PLAT 4107/4885

“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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