SCHEMBL16092297

SCHEMBL16092297

COC(=O)c1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 3/20 0.51
▸ MDM2 Q00987 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ GAA P10253 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ KDM4D Q6B0I6 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL16092512 0.86 KDM5A (0.47) KDM5AMDM2ALDH1A1HPGDGAA
SCHEMBL20427594 0.82 MDM2 (0.47) KDM5AMDM2ALDH1A1HPGDGAA
SCHEMBL16092249 0.81 KDM5A (0.47) KDM5AMDM2ALDH1A1HPGDKDM4E
SCHEMBL16092548 0.81 MDM2 (0.42) KDM5AMDM2ALDH1A1HPGDGAA
SCHEMBL16050574 0.80 KDM5A (0.42) KDM5AMDM2ALDH1A1HPGDGAA
SCHEMBL17085744 0.80 MAOA (0.45) KDM5AMDM2ALDH1A1HPGDGAA
SCHEMBL16092513 0.80 KDM5A (0.46) KDM5AMDM2ALDH1A1HPGDGAA
SCHEMBL16047275 0.79 KDM5A (0.47) KDM5AMDM2ALDH1A1HPGDGAA
SCHEMBL16092304 0.78 KDM5A (0.46) KDM5AMDM2ALDH1A1HPGDGAA
SCHEMBL16092553 0.77 KDM5A (0.46) KDM5AMDM2ALDH1A1HPGDGAA

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 KDM5A 1/4885MDM2 1123/4885LMNA 2737/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B KDM5A 1/4885MDM2 1123/4885LMNA 2737/4885

“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.

Send feedback