SCHEMBL16092370

SCHEMBL16092370

CC(C)c1c(-c2ccco2)n(C)c2c(C#N)cnn2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 6/20 0.46
▸ ADORA2A P29274 2/20 0.34
▸ ADORA2B P29275 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ KMT2A Q03164 5/20 0.33
▸ MEN1 O00255 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32
▸ NPBWR1 P48145 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ HPGD P15428 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ LMNA P02545 3/20 0.31
▸ CASP1 P29466 2/20 0.31
▸ CASP7 P55210 2/20 0.31

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
SCHEMBL16092540 0.84 KDM5A (0.40) KDM5AALDH1A1KDM4EHPGDGAA
SCHEMBL16092407 0.83 KDM5A (0.61) KDM5AADORA2AADORA2BADORA1KMT2A
SCHEMBL16092535 0.82 KDM5A (0.42) KDM5AKMT2AMEN1ALDH1A1NPBWR1
SCHEMBL16092359 0.80 KDM5A (0.44) KDM5ANPBWR1MCHR1KDM6BKDM5C
SCHEMBL16092533 0.80 KDM5A (0.40) KDM5AALDH1A1KDM4E
SCHEMBL16092536 0.79 KDM5A (0.46) KDM5AKDM6BKDM5CKDM5DKDM4C
SCHEMBL16092500 0.78 KDM5A (0.44) KDM5AADORA1KMT2AMEN1ALDH1A1
SCHEMBL16092400 0.78 KDM5A (0.44) KDM5AALDH1A1KDM6BKDM5CKDM5D
SCHEMBL16092539 0.78 KDM5A (0.46) KDM5AKMT2AMEN1ALDH1A1KDM4E
SCHEMBL16092388 0.77 KDM5A (0.43) KDM5AALDH1A1RXFP1KDM4EHPGD

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 1/4885ADORA2A 3367/4885ADORA2B 3759/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5A 1/4885ADORA2A 3367/4885ADORA2B 3759/4885

“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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