SCHEMBL16092530

SCHEMBL16092530

CC(C)c1c(-c2ccc(S(C)(=O)=O)cc2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 1/20 0.38
▸ LRRK2 Q5S007 4/20 0.37
▸ PTGS2 P35354 3/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ KDM5A P29375 7/20 0.36
▸ KDM4D Q6B0I6 1/20 0.36
▸ PLAT P00750 1/20 0.36
▸ 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
▸ IKBKB O14920 1/20 0.35
▸ CHUK O15111 1/20 0.35
▸ PTGS1 P23219 1/20 0.34

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
SCHEMBL16092320 0.90 KDM5A (0.36) KDM5AKDM4DPLATKDM6BKDM5C
SCHEMBL17547835 0.88 FASN (0.41) GCKKDM5AKDM4DKDM6BKDM5C
SCHEMBL16092317 0.87 KDM5A (0.48) PTGS2KDM5AKDM4DPLATKDM6B
SCHEMBL16092242 0.87 KDM5B (0.44) KDM5AKDM4DPLATKDM6BKDM5C
SCHEMBL17547839 0.87 KDM5B (0.44) KDM5AKDM6BKDM5CKDM5DKDM4C
SCHEMBL16092513 0.86 KDM5A (0.46) KDM5AKDM4DKDM6BKDM5CKDM5D
SCHEMBL16092523 0.86 KDM5A (0.49) KDM5AKDM4DPLATKDM6BKDM5C
SCHEMBL16092238 0.86 CSNK2A1 (0.39) KDM5AKDM4DPLATKDM6BKDM5C
SCHEMBL16092436 0.86 KDM5B (0.38) KDM5AKDM4DPLATKDM6BKDM5C
SCHEMBL16092249 0.85 KDM5A (0.47) KDM5AKDM4DKDM6BKDM5CKDM5D

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 GCK 1026/4885LRRK2 2552/4885PTGS2 2269/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B GCK 1026/4885LRRK2 2552/4885PTGS2 2269/4885

“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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