SCHEMBL17547836

SCHEMBL17547836

CC(C)c1c(-c2ccc(CN3CCOCC3)cc2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.42
▸ TLR7 Q9NYK1 2/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ CHUK O15111 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ CAMKK2 Q96RR4 1/20 0.41
▸ CHEK1 O14757 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.39
▸ ERCC1 P07992 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ ERCC4 Q92889 1/20 0.39
▸ PRKCQ Q04759 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ PARP1 P09874 2/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ RET P07949 1/20 0.37
▸ TNKS O95271 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37

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
SCHEMBL16092296 0.90 TLR8 (0.47) TLR8TLR7LRRK2CHUKMAPK8
SCHEMBL17547830 0.87 KDM5B (0.45) CHEK1KDM5B
SCHEMBL20426057 0.86 LRRK2 (0.42) TLR7LRRK2CHUKMAPK8CAMKK2
SCHEMBL16092534 0.84 EGLN1 (0.43) LRRK2CHEK1HRH3HSP90AA1
SCHEMBL17547868 0.83 LRRK2 (0.46) LRRK2
SCHEMBL17549545 0.83 SRC (0.40) TLR8TLR7CHEK1KDM5BRET
SCHEMBL16092523 0.81 KDM5A (0.49) KDM5B
SCHEMBL16092242 0.80 KDM5B (0.44) KDM5B
SCHEMBL16092441 0.79 KDM5B (0.45) KDM5BRET
SCHEMBL17547837 0.79 KDM5B (0.49) KDM5BKDR

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 TLR8 3005/4885TLR7 3290/4885LRRK2 2552/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B TLR8 3005/4885TLR7 3290/4885LRRK2 2552/4885

“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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