SCHEMBL17547849

SCHEMBL17547849

CC(C)c1c(-c2ccc(N3CCN(C)CC3)cc2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 4/20 0.45
▸ CHEK1 O14757 3/20 0.40
▸ MAP4K1 Q92918 2/20 0.39
▸ RET P07949 5/20 0.38
▸ ACHE P22303 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ LCK P06239 1/20 0.36
▸ HCK P08631 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35

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
SCHEMBL16092528 0.90 RET (0.47) RETTLR8TLR7
SCHEMBL16092441 0.90 KDM5B (0.45) KDM5BRETCTSLCTSBCTSS
SCHEMBL17547830 0.90 KDM5B (0.45) KDM5BCHEK1CTSLCTSBCTSS
SCHEMBL17547834 0.86 RET (0.52) RETCTSSCTSK
SCHEMBL16092242 0.83 KDM5B (0.44) KDM5BKDM5A
SCHEMBL16092317 0.83 KDM5A (0.48) KDM5BKDM5A
SCHEMBL16092513 0.82 KDM5A (0.46) KDM5BKDM5A
SCHEMBL16092238 0.82 CSNK2A1 (0.39) KDM5BKDM5A
SCHEMBL16092436 0.82 KDM5B (0.38) KDM5BKDM5A
SCHEMBL16092523 0.82 KDM5A (0.49) KDM5BKDM5A

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 4 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

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 KDM5B 3/4885CHEK1 1799/4885MAP4K1 1519/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5B 3/4885CHEK1 1799/4885MAP4K1 1519/4885

“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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