SCHEMBL16092548

SCHEMBL16092548

N#Cc1cnn2c(=O)c(I)c(-c3ccccc3)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 2/20 0.42
▸ KDM4D Q6B0I6 1/20 0.42
▸ KDM4E B2RXH2 6/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 5/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ CSNK2A1 P68400 2/20 0.40
▸ GLA P06280 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PLAT P00750 3/20 0.39
▸ HSD11B1 P28845 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ KDM5A P29375 2/20 0.36
▸ KDM6B O15054 1/20 0.36
▸ KDM5C P41229 1/20 0.36
▸ KDM5D Q9BY66 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ PHF8 Q9UPP1 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
SCHEMBL17085744 0.86 MAOA (0.45) MDM2KDM4DKDM4EALDH1A1HPGD
SCHEMBL20427594 0.86 MDM2 (0.47) MDM2KDM4DKDM4EALDH1A1HPGD
SCHEMBL16050574 0.86 KDM5A (0.42) MDM2KDM4DKDM4EALDH1A1HPGD
SCHEMBL16092304 0.84 KDM5A (0.46) MDM2KDM4DKDM4EALDH1A1HPGD
SCHEMBL16092249 0.83 KDM5A (0.47) MDM2KDM4DKDM4EALDH1A1HPGD
SCHEMBL16047275 0.83 KDM5A (0.47) MDM2KDM4DKDM4EALDH1A1HPGD
SCHEMBL16092495 0.82 KDM4E (0.40) MDM2KDM4DKDM4EALDH1A1HPGD
SCHEMBL16050452 0.81 MDM2 (0.43) MDM2KDM4DKDM4EALDH1A1HPGD
SCHEMBL16092553 0.81 KDM5A (0.46) MDM2KDM4DKDM4EALDH1A1HPGD
SCHEMBL16092513 0.81 KDM5A (0.46) MDM2KDM4DKDM4EALDH1A1HPGD

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 MDM2 1123/4885KDM4D 18/4885KDM4E 12/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B MDM2 1123/4885KDM4D 18/4885KDM4E 12/4885

“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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