SCHEMBL17809692

SCHEMBL17809692

Cc1cc(C#N)c(-c2cnn(C)c2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.42
BRD4 O60885 3/20 0.41
CREBBP Q92793 3/20 0.41
BAZ2B Q9UIF8 2/20 0.40
BAZ2A Q9UIF9 2/20 0.40
GRM4 Q14833 1/20 0.40
RET P07949 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
EGLN2 Q96KS0 4/20 0.39
LRRK2 Q5S007 3/20 0.39
MAP4K1 Q92918 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
SCHEMBL17806584 0.82 LRRK2 (0.41) USP30BRD4CREBBPBAZ2BBAZ2A
SCHEMBL19628541 0.82 USP30 (0.42) USP30BRD4CREBBPBAZ2BBAZ2A
SCHEMBL19538863 0.82 BRD4 (0.47) USP30BRD4CREBBPBAZ2BBAZ2A
SCHEMBL17809696 0.82 ALOX5AP (0.44) BRD4CREBBPLRRK2
SCHEMBL19175599 0.80 LRRK2 (0.43) USP30RETCNR1CNR2PIK3CD
SCHEMBL19663510 0.80 USP30 (0.40) USP30RETCNR1CNR2LRRK2
SCHEMBL19531703 0.79 LRRK2 (0.48) USP30BRD4CREBBPCNR1CNR2
SCHEMBL17795290 0.79 USP30 (0.39) USP30BAZ2BBAZ2AGRM4RET
SCHEMBL17809819 0.79 ALOX5AP (0.44) BRD4CREBBPLRRK2
SCHEMBL23761239 0.78 PIK3CD (0.47) USP30RETCNR1CNR2PIK3CD

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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
WO-2016086200-A9 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-23 WO disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 USP30 2156/4885BRD4 11/4885CREBBP 6/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 USP30 2156/4885BRD4 11/4885CREBBP 6/4885

“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.