SCHEMBL13675606

SCHEMBL13675606

CC(C)(C)c1ccc(-c2ccnc(Nc3ccc4[nH]ccc4c3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
SYK P43405 2/20 0.45
GSK3B P49841 7/20 0.44
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
FGFR2 P21802 1/20 0.43
FLT3 P36888 1/20 0.43
BTK Q06187 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
MAPK10 P53779 1/20 0.41
PIP4K2A P48426 1/20 0.41
PIP4K2B P78356 1/20 0.41
EPHX2 P34913 1/20 0.41
JAK2 O60674 1/20 0.40

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
SCHEMBL22803775 0.87 EGFR (0.47) EGFRSYKABL1BCRFGFR2
SCHEMBL30302539 0.87 EGFR (0.47) EGFRSYKABL1BCRFGFR2
SCHEMBL22803769 0.84 NPC1 (0.55) EGFRSYKABL1BCRFGFR2
SCHEMBL30302584 0.84 NPC1 (0.55) EGFRSYKABL1BCRFGFR2
SCHEMBL1011247 0.83 ABL1 (0.61) EGFRSYKABL1BCRFGFR2
SCHEMBL22803330 0.80 EGFR (0.46) EGFRSYKABL1BCRFGFR2
SCHEMBL30302536 0.80 EGFR (0.46) EGFRSYKABL1BCRFGFR2
SCHEMBL22803547 0.79 EGFR (0.43) EGFRSYKABL1BCRFGFR2
SCHEMBL13675612 0.79 ESR1 (0.51) SYKGSK3BABL1BCRBTK
SCHEMBL7084406 0.78 NPC1 (0.62) PIP4K2APIP4K2B

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 464/4885SYK 764/4885GSK3B 1100/4885

“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.