SCHEMBL16092534

SCHEMBL16092534

CC(C)c1c(-c2ccc(C(=O)N3CCOCC3)cc2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 3/20 0.43
▸ MKNK1 Q9BUB5 4/20 0.42
▸ MKNK2 Q9HBH9 4/20 0.42
▸ EIF4E P06730 1/20 0.41
▸ TAF1 P21675 1/20 0.40
▸ BRD9 Q9H8M2 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ AR P10275 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ HRH3 Q9Y5N1 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
SCHEMBL16092522 0.92 MEN1 (0.40) EGLN1MKNK1MKNK2HPGDMEN1
SCHEMBL17547830 0.87 KDM5B (0.45) HPGDTBK1CHEK1KDM4E
SCHEMBL16092354 0.86 KDM4E (0.41) TAF1BRD9HPGDKDM4E
SCHEMBL17547836 0.84 TLR8 (0.42) HSP90AA1CHEK1LRRK2HRH3
SCHEMBL17547868 0.83 LRRK2 (0.46) HPGDKDM4EMEN1KMT2ALRRK2
SCHEMBL16092445 0.83 KDM5A (0.36) —
SCHEMBL16092528 0.81 RET (0.47) KDM4E
SCHEMBL17549523 0.81 TLR8 (0.39) EGLN1MKNK1MKNK2
SCHEMBL17547869 0.80 TLR8 (0.47) KDM4E
SCHEMBL16092317 0.80 KDM5A (0.48) —

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 EGLN1 110/4885MKNK1 907/4885MKNK2 736/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B EGLN1 110/4885MKNK1 907/4885MKNK2 736/4885

“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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