SCHEMBL13675601

SCHEMBL13675601

COc1cccc(Nc2cc(-c3ccc(C(C)(C)C)cc3)ccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.53
ROCK1 Q13464 2/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PIK3CG P48736 4/20 0.49
PIK3CA P42336 3/20 0.49
PIK3CB P42338 3/20 0.49
ERBB3 P21860 2/20 0.49
LMNA P02545 1/20 0.49
STAT1 P42224 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAK O14976 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
GSK3B P49841 1/20 0.47
MAPK10 P53779 1/20 0.47

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
SCHEMBL13675600 0.83 MAPK10 (0.50) EGFRPIK3CAGSK3BMAPK10SYK
SCHEMBL3910196 0.82 MEN1 (0.60) EGFRMEN1KMT2AMAPTMAPK1
SCHEMBL14254297 0.80 ROCK1 (0.57) EGFRROCK1MEN1KMT2AMAPT
SCHEMBL27112560 0.79 MEN1 (0.55) EGFRROCK1MEN1KMT2AMAPT
SCHEMBL13675604 0.79 GAK (0.56) EGFRMEN1KMT2APIK3CGPIK3CA
SCHEMBL13675603 0.77 TRPV1 (0.47) GSK3BMAPK10
SCHEMBL21490327 0.77 MAPT (0.67) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL1518593 0.75 MAPK8 (0.59) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL14254280 0.75 EGFR (0.50) EGFRROCK1MEN1KMT2AMAPT
SCHEMBL12591816 0.75 ABL1 (0.55) MAPTMAPK1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. 2009-10-22 US disclosed
US-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. 2009-10-22 US disclosed
US-7582657-B2 Treating inflammatory and neuropathic pain, headache, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, eye disorders, bladder disorders, psoriasis, skin disorders, asthma, herpes simplex AMGEN INC. (US) 2009-09-01 US disclosed
US-7582657-B2 Treating inflammatory and neuropathic pain, headache, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, eye disorders, bladder disorders, psoriasis, skin disorders, asthma, herpes simplex AMGEN INC. (US) 2009-09-01 US disclosed
US-7579347-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-08-25 US disclosed
US-7579347-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-08-25 US disclosed
EP-1780196-A2 Pyridine derivatives for use as vanilloid receptor ligands Amgen, Inc (US) 2007-05-02 EP disclosed
EP-1764358-A2 Cyclic amides as vanilloid receptor ligands and their use in treatments of inflammatory and neuropathic pain Amgen, Inc (US) 2007-03-21 EP 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 (1 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-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 EGFR 464/4885ROCK1 1440/4885MEN1 3504/4885

“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.