SCHEMBL17547834

SCHEMBL17547834

CC(C)c1c(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 16/20 0.52
▸ EGLN2 Q96KS0 1/20 0.45
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GPR119 Q8TDV5 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
SCHEMBL16092528 0.88 RET (0.47) RETEGLN2LMNAMAPT
SCHEMBL17547849 0.86 KDM5B (0.45) RETCTSSCTSK
SCHEMBL17547830 0.84 KDM5B (0.45) EGLN2CTSSCTSKLMNAMAPT
SCHEMBL16092399 0.80 TBK1 (0.37) RETGPR119
SCHEMBL16092323 0.78 KDM5A (0.40) —
SCHEMBL16092522 0.78 MEN1 (0.40) EGLN2ALDH1A1LMNA
SCHEMBL16092534 0.77 EGLN1 (0.43) —
SCHEMBL16092238 0.77 CSNK2A1 (0.39) —
SCHEMBL16092244 0.76 KDM5A (0.52) —
SCHEMBL16092319 0.75 PLAT (0.42) RETALDH1A1

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 RET 2286/4885EGLN2 148/4885CTSS 4019/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B RET 2286/4885EGLN2 148/4885CTSS 4019/4885

“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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