SCHEMBL17799535

SCHEMBL17799535

Cn1cc(-c2cc3c(cc2C#N)NCCO3)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
USP30 Q70CQ3 1/20 0.38
RET P07949 7/20 0.37
GRM2 Q14416 1/20 0.37
MAP4K3 Q8IVH8 1/20 0.37
MAP4K1 Q92918 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TBK1 Q9UHD2 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CHEK1 O14757 2/20 0.35
KCNH2 Q12809 2/20 0.35
KDM1A O60341 1/20 0.35
LRRK2 Q5S007 1/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL304000 0.80 ALDH1A1 (0.42) BRD4MAP4K1ALDH1A1GAAMAPT
SCHEMBL17673209 0.80 USP30 (0.42) BRD4USP30RETCNR1CNR2
SCHEMBL29471204 0.80 USP30 (0.42) BRD4USP30RETCNR1CNR2
SCHEMBL31601615 0.80 USP30 (0.45) BRD4USP30RETCNR1CNR2
SCHEMBL17785736 0.79 USP30 (0.46) USP30RETCNR1CNR2LRRK2
SCHEMBL17799485 0.79 CREBBP (0.43) BRD4CREBBP
SCHEMBL30023540 0.79 CREBBP (0.43) BRD4CREBBP
SCHEMBL17799353 0.79 PDE3B (0.46) BRD4GRM2ALDH1A1GAAMAPT
SCHEMBL29471274 0.78 USP30 (0.41) USP30RETCNR1CNR2LRRK2
SCHEMBL26548299 0.78 USP30 (0.41) USP30RETCNR1CNR2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531690-B 4,5,6, 7-tetrahydro-1H-pyrazolo [4,3-c ] pyridin-3-amine compounds as CBP and/or EP300 inhibitors 基因泰克公司 2020-11-06 CN disclosed
EP-3632915-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS Genentech, Inc. (US) 2020-04-08 EP disclosed
EP-3224258-B1 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH INC (US) 2019-08-14 EP disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
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
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 US 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 BRD4 11/4885USP30 2156/4885RET 855/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 BRD4 11/4885USP30 2156/4885RET 855/4885

“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.