SCHEMBL16092322

SCHEMBL16092322

COc1cc(F)cc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ KDM5A P29375 14/20 0.35
▸ RIPK3 Q9Y572 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PLAT P00750 2/20 0.34
▸ KDM5B Q9UGL1 3/20 0.34
▸ KDM5C P41229 2/20 0.34
▸ KDM4C Q9H3R0 2/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ KDM6B O15054 1/20 0.33
▸ KDM5D Q9BY66 1/20 0.33
▸ PHF8 Q9UPP1 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
SCHEMBL16092508 0.94 NPBWR1 (0.38) NPBWR1MCHR1KDM5APLATKDM5B
SCHEMBL16092434 0.91 PLAT (0.38) KDM5APLATKDM5BKDM5CKDM4C
SCHEMBL16092248 0.86 KDM4E (0.46) NPBWR1MCHR1KDM5APLATKDM5B
SCHEMBL16092518 0.86 KDM5A (0.37) KDM5APLATKDM5BKDM5CKDM4C
SCHEMBL16092251 0.85 SMN1; SMN2 (0.45) NPBWR1MCHR1KDM5AKDM5BKDM5C
SCHEMBL16092312 0.85 KDM5A (0.39) KDM5APLATKDM5BKDM5CKDM4C
SCHEMBL16092432 0.84 KDM5A (0.42) KDM5APLATKDM5BKDM5CKDM4C
SCHEMBL16092255 0.84 KDM5B (0.42) KDM5APLATKDM5BKDM5CKDM4C
SCHEMBL16092360 0.84 KDM5A (0.38) NPBWR1MCHR1KDM5APLATKDM5B
SCHEMBL16092426 0.83 CYP11B2 (0.38) KDM5APLATKDM5BKDM5CKDM4C

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 NPBWR1 4699/4885MCHR1 4378/4885KDM5A 1/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B NPBWR1 4699/4885MCHR1 4378/4885KDM5A 1/4885

“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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