SCHEMBL17809672

SCHEMBL17809672

CN1CCCc2cc(-c3cccnc3)c(C#N)cc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 15/20 0.45
CYP11B1 P15538 11/20 0.44
CYP19A1 P11511 4/20 0.44
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
XDH P47989 1/20 0.41
CYP17A1 P05093 1/20 0.41
FGFR4 P22455 1/20 0.41

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
SCHEMBL17806342 0.85 CYP11B2 (0.43) CYP11B2CYP11B1CYP19A1CYP3A4XDH
SCHEMBL17809667 0.85 KDM4E (0.41) CYP11B2CYP11B1ALDH1A1TSHRHSD17B10
SCHEMBL17809650 0.85 ALDH1A1 (0.41) CYP11B2CYP11B1ALDH1A1HSD17B10
SCHEMBL17809654 0.83 CYP11B2 (0.41) CYP11B2CYP11B1ALDH1A1HSD17B10XDH
SCHEMBL17809647 0.82 CYP11B2 (0.40) CYP11B2CYP11B1ALDH1A1HSD17B10
SCHEMBL17809673 0.81 CYP11B2 (0.41) CYP11B2CYP11B1ALDH1A1HSD17B10
SCHEMBL17809787 0.81 CYP11B2 (0.41) CYP11B2CYP11B1ALDH1A1HSD17B10
SCHEMBL17794997 0.81 CYP11B2 (0.39) CYP11B2CYP11B1ALDH1A1TSHRHSD17B10
SCHEMBL17809629 0.79 USP30 (0.53) ALDH1A1HSD17B10
SCHEMBL17809652 0.79 LRRK2 (0.40) CYP11B2CYP11B1CYP3A4ALDH1A1HSD17B10

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 1605/4885CYP11B1 1468/4885CYP19A1 3059/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CYP11B2 1605/4885CYP11B1 1468/4885CYP19A1 3059/4885

“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.