SCHEMBL13675612

SCHEMBL13675612

FC(F)(F)c1ccc(-c2ccnc(Nc3ccc4cc[nH]c4c3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.51
EPHX2 P34913 2/20 0.45
TRPV1 Q8NER1 2/20 0.45
ABL1 P00519 2/20 0.44
BCR P11274 2/20 0.44
MAPK10 P53779 1/20 0.44
KIF11 P52732 2/20 0.43
SYK P43405 5/20 0.43
GSK3B P49841 1/20 0.41
BTK Q06187 1/20 0.41
TNIK Q9UKE5 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
SCHEMBL30302520 0.84 SYK (0.46) MAPK10SYKBTK
SCHEMBL22803853 0.84 SYK (0.46) MAPK10SYKBTK
SCHEMBL1012120 0.83 TRPV1 (0.63) ESR1TRPV1ABL1BCR
SCHEMBL22803677 0.80 SYK (0.45) ESR1ABL1BCRKIF11SYK
SCHEMBL30302579 0.80 SYK (0.45) ESR1ABL1BCRKIF11SYK
SCHEMBL1518728 0.79 MAPK10 (0.67) EPHX2TRPV1ABL1BCRMAPK10
SCHEMBL13675606 0.79 EGFR (0.46) EPHX2TRPV1ABL1BCRMAPK10
SCHEMBL22803854 0.79 ESR1 (0.50) ESR1EPHX2ABL1BCRKIF11
SCHEMBL22803804 0.79 ESR1 (0.54) ESR1EPHX2KIF11SYK
SCHEMBL7091832 0.78 ESR1 (0.55) ESR1EPHX2KIF11

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-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

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 ESR1 2712/4885EPHX2 4360/4885TRPV1 1/4885

“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.