SCHEMBL17809792

SCHEMBL17809792

CNc1ccc(-c2cc3c(cc2C#N)N(C)CCC3)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
HPGD P15428 2/20 0.37
FGFR4 P22455 7/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
APP P05067 2/20 0.36
USP30 Q70CQ3 1/20 0.36
DYRK1A Q13627 1/20 0.36
NUDT1 P36639 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
SCHEMBL17809677 0.87 CYP11B2 (0.41) CYP11B2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17806286 0.86 CYP11B2 (0.37) CYP11B2HPGDFGFR4APPNUDT1
SCHEMBL17794999 0.85 ROCK2 (0.41) CYP11B2HPGDKDM4EALDH1A1GLA
SCHEMBL17809654 0.85 CYP11B2 (0.41) CYP11B2HPGDKDM4EALDH1A1GLA
SCHEMBL17809673 0.85 CYP11B2 (0.41) CYP11B2HPGDKDM4EALDH1A1GLA
SCHEMBL17809596 0.83 CREBBP (0.43) CYP11B2USP30
SCHEMBL21255330 0.83 RET (0.35) CYP11B2HPGDFGFR4ABL1
SCHEMBL17809653 0.82 USP30 (0.40) CYP11B2HPGDUSP30
SCHEMBL17809607 0.81 CREBBP (0.46)
SCHEMBL17809669 0.81 RET (0.40) CYP11B2HPGDKDM4EALDH1A1GLA

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
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-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

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 CYP11B2 1605/4885PRKAB2 1172/4885PRKAG1 1147/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CYP11B2 1605/4885PRKAB2 1172/4885PRKAG1 1147/4885

“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.