SCHEMBL16092500

SCHEMBL16092500

CC(C)c1c(-c2cccs2)n(C)c2c(C#N)cnn2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 3/20 0.44
▸ CSNK2A1 P68400 2/20 0.41
▸ MAOA P21397 2/20 0.40
▸ KDM5B Q9UGL1 1/20 0.36
▸ ADORA1 P30542 1/20 0.34
▸ MEN1 O00255 6/20 0.34
▸ KMT2A Q03164 6/20 0.34
▸ USP2 O75604 4/20 0.34
▸ CYP1A2 P05177 4/20 0.34
▸ CASP1 P29466 4/20 0.34
▸ CASP7 P55210 4/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ HIF1A Q16665 3/20 0.34
▸ FOS P01100 1/20 0.34
▸ JUN P05412 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ ALDH1A1 P00352 6/20 0.33
▸ KDM4E B2RXH2 4/20 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
SCHEMBL16092497 0.80 KDM5A (0.44) KDM5AKDM5B
SCHEMBL16092536 0.79 KDM5A (0.46) KDM5AKDM5B
SCHEMBL16092370 0.78 KDM5A (0.46) KDM5AKDM5BADORA1MEN1KMT2A
SCHEMBL16092400 0.78 KDM5A (0.44) KDM5AKDM5BALDH1A1
SCHEMBL16092539 0.78 KDM5A (0.46) KDM5ACSNK2A1KDM5BMEN1KMT2A
SCHEMBL16092388 0.77 KDM5A (0.43) KDM5ACSNK2A1KDM5BALDH1A1KDM4E
SCHEMBL16092514 0.77 KDM5A (0.43) KDM5AKDM5BMEN1KMT2AUSP2
SCHEMBL16092502 0.77 KDM5A (0.47) KDM5AKDM5BCYP1A2NFKB1ALDH1A1
SCHEMBL16092406 0.77 KDM5A (0.42) KDM5AKDM5BUSP2CYP1A2CYP3A4
SCHEMBL16092496 0.76 KDM5A (0.48) KDM5AKDM5B

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 1/4885CSNK2A1 921/4885MAOA 1549/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5A 1/4885CSNK2A1 921/4885MAOA 1549/4885

“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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