SCHEMBL17547814

SCHEMBL17547814

CC(=O)N1CC=C(c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 2/20 0.37
▸ ADAM10 O14672 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ QDPR P09417 2/20 0.34
▸ KDM5B Q9UGL1 2/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ KDM5A P29375 4/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CCNT1 O60563 4/20 0.32
▸ CDK9 P50750 4/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RET P07949 1/20 0.31

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
SCHEMBL16092288 0.90 PLAT (0.38) PLATKDM5BKDM5ARET
SCHEMBL17547815 0.90 NAMPT (0.36) PLATADAM10MMP2KDM5BNAMPT
SCHEMBL17547816 0.90 KDM5B (0.42) PLATADAM10MMP2KDM5BNAMPT
SCHEMBL17547817 0.88 PLAT (0.39) PLATQDPRKDM5BKDM5AKDM4E
SCHEMBL16092289 0.85 PLAT (0.35) PLATKDM5BKDM5A
SCHEMBL16092287 0.82 PLAT (0.37) PLATKDM5BNAMPTKDM5AKDM4E
SCHEMBL17547824 0.82 KDM5B (0.41) PLATKDM5BKDM5A
SCHEMBL17547843 0.80 PLAT (0.40) PLATKDM5BKDM5ACCNT1CDK9
SCHEMBL16092399 0.80 TBK1 (0.37) PLATKDM5BKDM5ACDK9RET
SCHEMBL16092528 0.78 RET (0.47) KDM4ECCNT1CDK9GAARET

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 4 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

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 PLAT 4107/4885ADAM10 4079/4885MMP2 3892/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B PLAT 4107/4885ADAM10 4079/4885MMP2 3892/4885

“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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