SCHEMBL16092395

SCHEMBL16092395

CC(C)c1c(-c2ccc(C(=O)NC3CCCC3)c(Cl)c2)[nH]c2c(C#N)cnn2c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SPR P35270 2/20 0.40
▸ IDH1 O75874 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ EZH2 Q15910 1/20 0.37
▸ IRAK4 Q9NWZ3 3/20 0.37
▸ BRD9 Q9H8M2 1/20 0.37
▸ TTK P33981 2/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ TNF P01375 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL17547829 0.88 USP30 (0.46) SPRALDH1A1HPGDIRAK4CNR1
SCHEMBL17547851 0.83 EGLN1 (0.42) TTKUSP30EGLN1
SCHEMBL16092357 0.81 KDM5A (0.40) ALDH1A1KDM4E
SCHEMBL16091921 0.79 KDM5A (0.40) ALDH1A1KDM4E
SCHEMBL16092338 0.79 KDM5A (0.38) ALDH1A1HPGDKDM4EPOLB
SCHEMBL17549439 0.78 AR (0.40) CNR1USP30EGLN1
SCHEMBL16092358 0.78 GRM2 (0.43) IDH1KDM4E
SCHEMBL16092523 0.77 KDM5A (0.49) ALDH1A1HPGDKDM4EPOLB
SCHEMBL17547848 0.75 EGLN1 (0.43) EGLN1
SCHEMBL17547806 0.75 KDM5A (0.38) —

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 NPC1 2336/4885RAB9A 3592/4885SPR 2168/4885
US-20160060267-A1 PYRAZOLO COMPOUNDS AND USES THEREOF KDM5A, KDM5C, KDM5B NPC1 2336/4885RAB9A 3592/4885SPR 2168/4885

“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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