SCHEMBL917282

SCHEMBL917282

CN(C(=O)OC(C)(C)C)c1ccc2c(Sc3ccccn3)cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
PAX8 Q06710 1/20 0.35
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ELANE P08246 1/20 0.32
MAPK1 P28482 1/20 0.32
NTRK1 P04629 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KAT8 Q9H7Z6 2/20 0.31
ALDH1A1 P00352 1/20 0.30
ICAM1 P05362 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
SCHEMBL916638 0.85 BRD4 (0.39) BRD4PAX8POLBKMT2AMEN1
SCHEMBL916730 0.85 BRD4 (0.39) BRD4PAX8POLBKMT2AMEN1
SCHEMBL916200 0.84 BRD4 (0.36) BRD4PAX8POLBKMT2AMEN1
SCHEMBL915944 0.84 POLB (0.37) BRD4PAX8POLBKMT2AMEN1
SCHEMBL916224 0.84 L3MBTL1 (0.34) BRD4KMT2AMEN1GAAALDH1A1
SCHEMBL917748 0.84 KMT2A (0.36) BRD4PAX8POLBKMT2AMEN1
SCHEMBL916614 0.84 GAA (0.36) BRD4PAX8POLBKMT2AMEN1
SCHEMBL916311 0.83 BRD4 (0.35) BRD4PAX8POLBKMT2AMEN1
SCHEMBL917442 0.82 BRD4 (0.35) BRD4PAX8POLBKMT2AMEN1
SCHEMBL711222 0.77 P2RX7 (0.38) PAX8POLBKMT2AMEN1GAA

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
US-20110009428-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2011-01-13 US disclosed
US-7812036-B2 Androgens N.V. ORGANON (NL) 2010-10-12 US disclosed
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP disclosed
US-20070225352-A1 Novel Androgens PHARMACOPELA DRUG DISCOVERY, INC. (US) 2007-09-27 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-20070225352-A1 Novel Androgens NR5A1, AR, SHBG BRD4 867/4885PAX8 467/4885POLB 4152/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 BRD4 688/4885PAX8 633/4885POLB 3139/4885

“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.