SCHEMBL17813504

SCHEMBL17813504

Cc1ncc2c(n1)N(C)C(=O)CC2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.39
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
CYP11B1 P15538 8/20 0.37
SRD5A1 P18405 4/20 0.36
CYP1A2 P05177 2/20 0.35
CYP19A1 P11511 2/20 0.35
CYP17A1 P05093 1/20 0.35
HSP90AA1 P07900 4/20 0.33
HSP90AB1 P08238 1/20 0.33
CYP3A4 P08684 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL17813505 0.76 HSP90AA1 (0.31) HSP90AA1
SCHEMBL17813511 0.76 IDH1 (0.40) HSP90AA1
SCHEMBL19508034 0.76 FGFR4 (0.40) HSP90AA1HSP90AB1
SCHEMBL17813508 0.75 RECQL (0.42) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL17813500 0.74 GRM5 (0.40) HSP90AA1HSP90AB1
SCHEMBL46315 0.74 CYP11B2 (0.50) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL19200104 0.71 ALDH1A1 (0.37) CYP11B2
SCHEMBL17813506 0.71 CYP11B2 (0.36) CYP11B2BMPR1BBMPR1AACVRL1ACVR1
SCHEMBL25462212 0.70 STK4 (0.40)
SCHEMBL7948276 0.70 KDM4E (0.38)

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
WO-2023083297-A1 SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-19 WO disclosed
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 US disclosed
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. 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-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 CYP11B2 3712/4885BMPR1B 3047/4885BMPR1A 3208/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 CYP11B2 3712/4885BMPR1B 3047/4885BMPR1A 3208/4885

“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.