SCHEMBL16092388

SCHEMBL16092388

CC(C)c1c(-c2cccc(-c3ccccc3)c2)n(C)c2c(C#N)cnn2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 10/20 0.43
▸ KDM4E B2RXH2 5/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ GLA P06280 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ KDM6B O15054 1/20 0.39
▸ KDM5C P41229 1/20 0.39
▸ KDM5D Q9BY66 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ PHF8 Q9UPP1 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ COMT P21964 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ GABRA1 P14867 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 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
SCHEMBL16092514 0.89 KDM5A (0.43) KDM5AALDH1A1GLAKDM6BKDM5C
SCHEMBL16092406 0.88 KDM5A (0.42) KDM5AKDM4EALDH1A1GLAKDM6B
SCHEMBL16092389 0.87 GRM2 (0.41) KDM5AKDM4EALDH1A1GLAGAA
SCHEMBL16092369 0.86 KDM5A (0.50) KDM5AKDM4EALDH1A1GAAKDM5B
SCHEMBL16092540 0.85 KDM5A (0.40) KDM5AKDM4EALDH1A1GLAGAA
SCHEMBL16092535 0.83 KDM5A (0.42) KDM5AKDM4EALDH1A1GLAGAA
SCHEMBL16092412 0.83 KDM5A (0.60) KDM5AKDM4EALDH1A1GLAGAA
SCHEMBL16092536 0.82 KDM5A (0.46) KDM5AKDM6BKDM5CKDM5DKDM4C
SCHEMBL16092539 0.81 KDM5A (0.46) KDM5AKDM4EALDH1A1KDM6BKDM5C
SCHEMBL16092532 0.80 KDM5B (0.45) 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 1/4885KDM4E 12/4885ALDH1A1 1424/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5A 1/4885KDM4E 12/4885ALDH1A1 1424/4885

“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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