SCHEMBL19200211

SCHEMBL19200211

CCC(C)c1cnc2[nH]c(=O)n(C(C)C)c2n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.53
CYP1A2 P05177 1/20 0.51
FYN P06241 1/20 0.35
CDK1 P06493 1/20 0.35
HSD17B10 Q99714 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GFER P55789 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPK8 P45983 1/20 0.32
ADORA2B P29275 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL17807738 0.85 MTOR (0.58) MTORCYP1A2FYNPOLBMEN1
SCHEMBL975769 0.81 CYP1A2 (0.64) MTORCYP1A2FYNHSD17B10L3MBTL1
SCHEMBL18898643 0.80 MTOR (0.55) MTORCYP1A2FYNCDK1L3MBTL1
SCHEMBL481934 0.77 MTOR (0.58) MTORCYP1A2FYNCDK1POLB
SCHEMBL24995677 0.74 MTOR (0.55) MTORCYP1A2FYNPOLBMAPK8
SCHEMBL975519 0.74 MTOR (0.55) MTORCYP1A2FYNPOLBALDH1A1
SCHEMBL975243 0.72 CYP1A2 (0.51) MTORCYP1A2FYNALDH1A1ADORA2B
SCHEMBL975242 0.72 CYP1A2 (0.51) MTORCYP1A2FYNALDH1A1ADORA2B
SCHEMBL978467 0.72 CYP1A2 (0.51) MTORCYP1A2FYNALDH1A1ADORA2B
SCHEMBL977402 0.72 MTOR (0.53) MTORCYP1A2FYNPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010556-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2018-07-03 US disclosed
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 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-10010556-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 MTOR 2397/4885CYP1A2 4220/4885FYN 2781/4885
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 MTOR 2445/4885CYP1A2 4563/4885FYN 3480/4885

“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.