SCHEMBL16092281

SCHEMBL16092281

COc1cc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)ccn1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 2/20 0.55
▸ TLR9 Q9NR96 13/20 0.41
▸ TLR7 Q9NYK1 13/20 0.41
▸ TLR8 Q9NR97 12/20 0.41
▸ AAK1 Q2M2I8 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ IDO1 P14902 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37

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
SCHEMBL16092379 0.84 TLR7 (0.42) TLR9TLR7TLR8
SCHEMBL16092418 0.84 AR (0.41) KDM5ATLR9TLR7TLR8
SCHEMBL16092330 0.83 KDM5B (0.46) KDM5ATLR9TLR7TLR8AAK1
SCHEMBL16092248 0.83 KDM4E (0.46) KDM5A
SCHEMBL16092508 0.83 NPBWR1 (0.38) KDM5ASMN1; SMN2
SCHEMBL16092251 0.83 SMN1; SMN2 (0.45) KDM5ASMN1; SMN2
SCHEMBL17547807 0.82 KDM5A (0.38) KDM5ATLR9TLR7TLR8
SCHEMBL16092398 0.82 KDM5A (0.38) KDM5ATLR9TLR7TLR8
SCHEMBL16092358 0.82 GRM2 (0.43) KDM5ATLR9TLR7TLR8
SCHEMBL16092560 0.81 KDM5A (0.39) KDM5A

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 1/4885TLR9 3308/4885TLR7 3290/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5A 1/4885TLR9 3308/4885TLR7 3290/4885

“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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