SCHEMBL16092522

SCHEMBL16092522

CC(C)c1c(-c2ccc(C(=O)N3CCCC3)cc2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TLR9 Q9NR96 5/20 0.40
▸ TLR8 Q9NR97 5/20 0.40
▸ TLR7 Q9NYK1 5/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ MKNK1 Q9BUB5 3/20 0.39
▸ MKNK2 Q9HBH9 3/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ EGLN2 Q96KS0 1/20 0.37
▸ CHRNA7 P36544 1/20 0.36
▸ CSNK2A1 P68400 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
SCHEMBL16092534 0.92 EGLN1 (0.43) MEN1KMT2AEGLN1MKNK1MKNK2
SCHEMBL16092402 0.86 CYP11B1 (0.40) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL16092445 0.85 KDM5A (0.36) CYP11B2
SCHEMBL17547848 0.84 EGLN1 (0.43) EGLN1EGLN2
SCHEMBL17549523 0.83 TLR8 (0.39) TLR9TLR8TLR7EGLN1MKNK1
SCHEMBL17547869 0.83 TLR8 (0.47) TLR9TLR8TLR7CYP11B1CYP11B2
SCHEMBL16092317 0.82 KDM5A (0.48) —
SCHEMBL16092242 0.82 KDM5B (0.44) —
SCHEMBL16092555 0.82 TLR9 (0.49) TLR9TLR8TLR7CYP11B1CYP11B2
SCHEMBL16092528 0.82 RET (0.47) LMNASMN1; SMN2TLR8TLR7MAPK1

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 MEN1 2686/4885KMT2A 38/4885ALDH1A1 1424/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B MEN1 2686/4885KMT2A 38/4885ALDH1A1 1424/4885

“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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