SCHEMBL16092268

SCHEMBL16092268

Cc1c(C(C)C)c(=O)n2ncc(C#N)c2n1C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 16/20 0.64
▸ KDM4E B2RXH2 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ KDM5C P41229 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM5B Q9UGL1 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
SCHEMBL16092527 0.83 KDM5A (0.50) KDM5AKDM5CKDM4CKDM5B
SCHEMBL16092531 0.81 KDM5A (0.48) KDM5AKDM4EKDM5CKDM4CKDM5B
SCHEMBL16077818 0.80 KDM5A (0.44) KDM5AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16092536 0.79 KDM5A (0.46) KDM5AKDM5CKDM4CKDM5B
SCHEMBL16092496 0.79 KDM5A (0.48) KDM5AKDM5CKDM4CKDM5B
SCHEMBL16092539 0.78 KDM5A (0.46) KDM5AKDM4EKMT2AALDH1A1KDM5C
SCHEMBL16045411 0.78 KDM5A (1.00) KDM5AKDM4EGAAKMT2AALDH1A1
SCHEMBL16092542 0.77 KDM5A (0.49) KDM5AKDM5CKDM4CKDM5B
SCHEMBL16092497 0.76 KDM5A (0.44) KDM5AKDM5CKDM4CKDM5B
SCHEMBL16092543 0.76 KDM5A (0.44) KDM5AKDM4EGAAALDH1A1

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 12/4885GAA 1016/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5A 1/4885KDM4E 12/4885GAA 1016/4885

“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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