SCHEMBL4729926

SCHEMBL4729926

COc1ccc(-c2cccnc2)cc1C(=O)NC1CCC(N)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.58
WNT1 P04628 4/20 0.58
MKNK1 Q9BUB5 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
CD38 P28907 1/20 0.49
ABCB1 P08183 6/20 0.49
ABCC1 P33527 4/20 0.49
KDM1A O60341 1/20 0.48
TLR9 Q9NR96 2/20 0.47
TLR8 Q9NR97 2/20 0.47
TLR7 Q9NYK1 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KCNH2 Q12809 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46

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
Hydrochloric Acid SCHEMBL4733281 0.78 PDE4B (0.50) KDM1ATLR9TLR8TLR7KCNH2
SCHEMBL4729928 0.77 KDM1A (0.46) DYRK1AWNT1MKNK1MKNK2KDM1A
SCHEMBL12518534 0.75 ALDH1A1 (0.67) KDM1ASMYD3
SCHEMBL19486012 0.75 ALDH1A1 (0.67) KDM1ASMYD3
SCHEMBL17095489 0.73 DYRK1A (1.00) DYRK1AWNT1
SCHEMBL17108781 0.73 DYRK1A (1.00) DYRK1AWNT1
SCHEMBL17108796 0.73 DYRK1A (1.00) DYRK1AWNT1
SCHEMBL17095490 0.73 DYRK1A (1.00) DYRK1AWNT1
SCHEMBL1308012 0.72 TUBB4A (0.64) MKNK1MKNK2ABCB1ABCC1
SCHEMBL19691212 0.72 ALDH1A1 (0.69) DYRK1AWNT1SMYD3

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 7 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 DYRK1A 1749/4885WNT1 18/4885MKNK1 1124/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO DYRK1A 1749/4885WNT1 18/4885MKNK1 1124/4885
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 DYRK1A 1661/4885WNT1 203/4885MKNK1 1908/4885

“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.