SCHEMBL16092495

SCHEMBL16092495

C=CCc1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HPGD P15428 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ GLA P06280 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ RCE1 Q9Y256 1/20 0.40
▸ MDM2 Q00987 1/20 0.38
▸ KDM4D Q6B0I6 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.37
▸ KDM5A P29375 5/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CSNK2A1 P68400 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PLAT P00750 2/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL16092551 0.87 MDM2 (0.39) KDM4EL3MBTL1HPGDALDH1A1GLA
SCHEMBL16047275 0.85 KDM5A (0.47) KDM4EL3MBTL1HPGDALDH1A1GLA
SCHEMBL16092304 0.84 KDM5A (0.46) KDM4EL3MBTL1HPGDALDH1A1GLA
SCHEMBL16092553 0.83 KDM5A (0.46) KDM4EL3MBTL1HPGDALDH1A1GLA
SCHEMBL16051063 0.83 KDM5A (0.47) KDM4EL3MBTL1HPGDALDH1A1GLA
SCHEMBL16092491 0.83 MDM2 (0.39) KDM4EL3MBTL1HPGDALDH1A1GLA
SCHEMBL16050554 0.82 MDM2 (0.38) KDM4EL3MBTL1HPGDALDH1A1GLA
SCHEMBL16092548 0.82 MDM2 (0.42) KDM4EL3MBTL1HPGDALDH1A1GLA
SCHEMBL16092308 0.81 KDM5A (0.42) KDM4DKDM5APLAT
SCHEMBL16092501 0.81 KDM5A (0.49) KDM4EL3MBTL1HPGDALDH1A1GLA

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 KDM4E 12/4885L3MBTL1 2420/4885HPGD 1427/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM4E 12/4885L3MBTL1 2420/4885HPGD 1427/4885

“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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