SCHEMBL19643783

SCHEMBL19643783

CC(C)(C)OC(=O)N1CCc2c(Br)n[nH]c2C1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.44
ESR2 Q92731 1/20 0.42
NR1H2 P55055 2/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
MKNK1 Q9BUB5 3/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
F12 P00748 3/20 0.37

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
SCHEMBL17785628 0.92 ESR2 (0.42) ADORA1ESR2NR1H2PARP1TNKS2
SCHEMBL21237549 0.85 ADORA1 (0.45) ADORA1ESR2NR1H2PARP1TNKS2
SCHEMBL17229883 0.85 ADORA1 (0.45) ADORA1ESR2NR1H2PARP1TNKS2
SCHEMBL17317969 0.84 ADORA1 (0.50) ADORA1ESR2NR1H2PARP1TNKS2
SCHEMBL17317597 0.84 ADORA1 (0.44) ADORA1ESR2NR1H2PARP1TNKS2
SCHEMBL17223055 0.83 ADORA1 (0.49) ADORA1ESR2NR1H2PARP1TNKS2
SCHEMBL19005817 0.83 ADORA1 (0.44) ADORA1ESR2NR1H2PARP1TNKS2
SCHEMBL21994486 0.82 ADORA1 (0.43) ADORA1ESR2NR1H2PARP1TNKS2
SCHEMBL17328077 0.82 ADORA1 (0.43) ADORA1ESR2NR1H2PARP1TNKS2
SCHEMBL19110585 0.82 ADORA1 (0.47) ADORA1ESR2NR1H2PARP1TNKS2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-04-28 US disclosed
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-04-28 US disclosed
US-11247989-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2022-02-15 US disclosed
US-11247989-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2022-02-15 US disclosed
EP-3464286-B1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2021-08-18 EP disclosed
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-08-08 US disclosed
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-08-08 US disclosed
EP-3464286-A1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER Genentech, Inc. (US) 2019-04-10 EP disclosed
WO-2017205538-A1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2017-11-30 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 (3 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-11247989-B2 Therapeutic compounds and uses thereof EP300, HDAC1, CREBBP ADORA1 3207/4885ESR2 870/4885NR1H2 192/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP ADORA1 3207/4885ESR2 870/4885NR1H2 192/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP ADORA1 3207/4885ESR2 870/4885NR1H2 192/4885

“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.