SCHEMBL4784057

SCHEMBL4784057

COc1ccc(-c2cc(C)nc(C)c2)cc1CNC1CCC(CNC(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.44
MTOR P42345 7/20 0.40
VCP P55072 2/20 0.39
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TACR1 P25103 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
POLB P06746 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL4732454 0.90 MAPK14 (0.43) MAPK14MTORKDM4EMEN1GAA
SCHEMBL4735022 0.89 MAPK14 (0.46) MAPK14VCPKDM4EMEN1GAA
SCHEMBL4733166 0.88 MAPK14 (0.43) MAPK14KDM4EMEN1GAAHTT
SCHEMBL4735236 0.88 MAPK14 (0.45) MAPK14VCPKDM4EMEN1GAA
SCHEMBL4730383 0.87 MAPK14 (0.45) MAPK14KDM4EMEN1GAAHTT
SCHEMBL4729635 0.86 MAPK14 (0.48) MAPK14KDM4EMEN1GAAHTT
SCHEMBL4732929 0.85 PDE4A (0.49) MAPK14VCPHTTTACR1
SCHEMBL4731632 0.85 MAPK14 (0.41) MAPK14VCPMEN1KMT2ATACR1
SCHEMBL4731818 0.85 MKNK1 (0.43) MAPK14VCPKDM4ETACR1ALDH1A1
SCHEMBL4734011 0.84 CHEK1 (0.45) MAPK14KDM4EMEN1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2008057469-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION WYETH (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-2008057468-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (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 (4 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 MAPK14 1590/4885MTOR 356/4885VCP 4753/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX MAPK14 2476/4885MTOR 882/4885VCP 719/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO MAPK14 1590/4885MTOR 356/4885VCP 4753/4885
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 MAPK14 1080/4885MTOR 489/4885VCP 4229/4885

“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.