SCHEMBL16092402

SCHEMBL16092402

CC(C)c1c(-c2ccc(F)c(C(=O)N3CCCC3)c2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PARP1 P09874 7/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ HPGD P15428 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ TLR8 Q9NR97 3/20 0.35
▸ TLR7 Q9NYK1 3/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ CFTR P13569 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 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
SCHEMBL16092522 0.86 MEN1 (0.40) CYP11B1CYP11B2HPGDALDH1A1TLR8
SCHEMBL16092509 0.84 KDM5A (0.38) CYP11B1CYP11B2
SCHEMBL17547829 0.83 USP30 (0.46) PDE4APDE4BPDE4CPDE4DHPGD
SCHEMBL16092354 0.82 KDM4E (0.41) PIK3CAMTORHPGDKDM4EALDH1A1
SCHEMBL16091921 0.82 KDM5A (0.40) KDM4EALDH1A1
SCHEMBL16092425 0.81 CYP11B2 (0.39) CYP11B2KDM1ATLR8TLR7
SCHEMBL17549439 0.80 AR (0.40) KDM1ATLR8TLR7EGLN1
SCHEMBL16092238 0.79 CSNK2A1 (0.39) —
SCHEMBL17547869 0.78 TLR8 (0.47) CYP11B1CYP11B2PIK3CAPARP1KDM4E
SCHEMBL16092434 0.78 PLAT (0.38) —

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 CYP11B1 651/4885CYP11B2 600/4885PIK3CA 951/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B CYP11B1 651/4885CYP11B2 600/4885PIK3CA 951/4885

“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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