SCHEMBL16092387

SCHEMBL16092387

COc1ccc(-c2c(C(C)C)c(=O)n3ncc(C#N)c3n2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPBWR1 P48145 2/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ KDM5A P29375 4/20 0.44
▸ GABRA1 P14867 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ CSNK2A1 P68400 3/20 0.43
▸ MAOA P21397 3/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ F2 P00734 1/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL16092536 0.88 KDM5A (0.46) KDM5AKDM5B
SCHEMBL16092389 0.88 GRM2 (0.41) NPBWR1MCHR1KDM5ACSNK2A1GRM2
SCHEMBL16092539 0.87 KDM5A (0.46) KDM5AGABRA1GABRG2GABRB3GABRA3
SCHEMBL16092502 0.84 KDM5A (0.47) KDM5AKDM5BKDM4EALDH1A1
SCHEMBL16092543 0.83 KDM5A (0.44) KDM5AKDM4EALDH1A1
SCHEMBL16092542 0.81 KDM5A (0.49) KDM5AKDM5B
SCHEMBL16092496 0.81 KDM5A (0.48) KDM5AKDM5B
SCHEMBL16092497 0.80 KDM5A (0.44) KDM5AKDM5B
SCHEMBL16092359 0.80 KDM5A (0.44) NPBWR1MCHR1KDM5AKDM5B
SCHEMBL16092388 0.80 KDM5A (0.43) KDM5AGABRA1GABRG2GABRB3GABRA2

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 SMN1; SMN2 1532/4885NPBWR1 4699/4885MCHR1 4378/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B SMN1; SMN2 1532/4885NPBWR1 4699/4885MCHR1 4378/4885

“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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