SCHEMBL16092561

SCHEMBL16092561

CNS(=O)(=O)c1ccc(-c2cccc(-c3[nH]c4c(C#N)cnn4c(=O)c3C(C)C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.42
▸ ADAMTS4 O75173 1/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ KDM4D Q6B0I6 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ CHUK O15111 1/20 0.35
▸ HSD11B1 P28845 4/20 0.34
▸ KDM5A P29375 6/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ KDM5D Q9BY66 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ PHF8 Q9UPP1 1/20 0.34
▸ MARK3 P27448 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
SCHEMBL16092340 0.92 TTK (0.39) LRRK2CYP17A1CYP3A4KDM4ETP53
SCHEMBL16092243 0.87 KDM5A (0.43) KDM4EKDM4DKDM5AKDM6BKDM5C
SCHEMBL16092447 0.86 PIP4K2A (0.40) IKBKBCHUKKDM5AKDM6BKDM5C
SCHEMBL17547835 0.83 FASN (0.41) KDM4DKDM5AKDM6BKDM5CKDM5D
SCHEMBL16092448 0.83 KDM5B (0.46) KDM4DKDM5AKDM6BKDM5CKDM5D
SCHEMBL16092449 0.83 CSNK2A2 (0.41) —
SCHEMBL16092438 0.82 BRD4 (0.38) KDM4EKDM4DKDM5AKDM6BKDM5C
SCHEMBL16092513 0.82 KDM5A (0.46) KDM4EKDM4DKDM5AKDM6BKDM5C
SCHEMBL16092493 0.81 KDM5B (0.48) KDM4DKDM5AKDM6BKDM5CKDM5D
SCHEMBL16092293 0.81 KDM5A (0.39) LRRK2KDM4DKDM5AKDM6BKDM5C

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 LRRK2 2552/4885ADAMTS4 3723/4885CYP17A1 1101/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B LRRK2 2552/4885ADAMTS4 3723/4885CYP17A1 1101/4885

“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.

Send feedback