SCHEMBL4730577

SCHEMBL4730577

COc1ccc(-c2ccc(F)nc2)cc1CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LIPG Q9Y5X9 3/20 0.35
PDE4B Q07343 2/20 0.35
NAAA Q02083 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KAT6A Q92794 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
ABL1 P00519 1/20 0.35
MTOR P42345 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
NTRK1 P04629 1/20 0.34
WNT1 P04628 1/20 0.34
DYRK1A Q13627 1/20 0.34
TTK P33981 1/20 0.34
SCN9A Q15858 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL12678648 1.00 MEN1 (0.36) MEN1KMT2ALIPGPDE4BNAAA
SCHEMBL12690162 0.91 MEN1 (0.39) MEN1KMT2AMTORSCN9AALDH1A1
SCHEMBL12678663 0.91 AAK1 (0.37) MEN1KMT2APDE4BKAT6AKAT8
SCHEMBL4733869 0.91 AAK1 (0.37) MEN1KMT2APDE4BKAT6AKAT8
SCHEMBL4783463 0.90 IRAK4 (0.37) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL12678411 0.90 IRAK4 (0.37) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL12678510 0.90 IRAK4 (0.38) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL14205082 0.90 PDE4B (0.35) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL4734472 0.88 KCNH2 (0.41) KAT6AKAT8ABL1NTRK1WNT1
SCHEMBL12678651 0.88 KCNH2 (0.41) KAT6AKAT8ABL1NTRK1WNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION ADERANS RESEARCH INSTITUTE, INC. 2012-09-27 US disclosed
US-8273747-B2 tert-Butyl (4-((4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino)-cyclohexyl)-methyl-carbamate; hedgehog pathway agonists; alopecia; angiogenesis; wound healing; alzheimer's disease; inhibit aging effects on skin CURIS, INC. (US) 2012-09-25 US disclosed
US-20080193423-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080194637-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin CURIS, INC. (US) 2008-07-31 US disclosed
WO-2008057468-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
WO-2008057497-A2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
WO-2008057469-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION WYETH (US) 2008-05-15 WO disclosed
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US disclosed
WO-2007089669-A2 PROCESSES FOR THE PREPARATION OF COMPOUNDS WHICH MODULATE CELL PROLIFERATION WYETH (US) 2007-08-09 WO 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 (5 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-20080193423-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO MEN1 2815/4885KMT2A 692/4885LIPG 3074/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX MEN1 594/4885KMT2A 3074/4885LIPG 1063/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO MEN1 2815/4885KMT2A 692/4885LIPG 3074/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO MEN1 2815/4885KMT2A 692/4885LIPG 3074/4885
US-20080182859-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin SHH, GLI1, SMO MEN1 3071/4885KMT2A 858/4885LIPG 2332/4885

“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.