SCHEMBL16092479

SCHEMBL16092479

Cc1[nH]c2c(C#N)cnn2c(=O)c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 2/20 0.52
▸ KDM4E B2RXH2 7/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ GLA P06280 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GAA P10253 3/20 0.43
▸ GALR3 O60755 1/20 0.43
▸ CDK5 Q00535 2/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ CHUK O15111 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ INSR P06213 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ PIM1 P11309 1/20 0.41

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
SCHEMBL20427594 0.82 MDM2 (0.47) MDM2KDM4EALDH1A1HPGDGLA
SCHEMBL16050364 0.81 KDM5A (0.41) MDM2KDM4EALDH1A1HPGDGLA
SCHEMBL19032074 0.79 KDM5A (0.43) MDM2RPS6KB1MARK3FLT3GSK3B
SCHEMBL16077817 0.79 KDM4E (0.48) KDM4EALDH1A1GLAGAAKDM4D
SCHEMBL16077837 0.79 KDM4E (0.45) MDM2KDM4EALDH1A1HPGDGLA
SCHEMBL16080794 0.79 KDR (0.40) MDM2KDM4EALDH1A1HPGDGLA
SCHEMBL16092548 0.78 MDM2 (0.42) MDM2KDM4EALDH1A1HPGDGLA
SCHEMBL20914241 0.78 MEN1 (0.42) MDM2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16050452 0.77 MDM2 (0.43) MDM2KDM4EALDH1A1HPGDGLA
SCHEMBL16050574 0.77 KDM5A (0.42) MDM2KDM4EALDH1A1HPGDGLA

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 1123/4885KDM4E 12/4885ALDH1A1 1424/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B MDM2 1123/4885KDM4E 12/4885ALDH1A1 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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