SCHEMBL3285394

SCHEMBL3285394

FC(F)(F)c1ccc(-c2ccnc(Cl)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.64
S1PR3 Q99500 1/20 0.64
KIF11 P52732 7/20 0.59
DYRK1A Q13627 1/20 0.42
DYRK2 Q92630 1/20 0.42
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
IDO1 P14902 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
CNR1 P21554 1/20 0.40
PTGS2 P35354 1/20 0.40
NOS3 P29474 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
SCHEMBL3560497 0.84 S1PR1 (0.59) S1PR1S1PR3KIF11IDO1CNR1
SCHEMBL4718821 0.82 S1PR1 (0.50) S1PR1S1PR3DYRK1ADYRK2IDO1
SCHEMBL3281593 0.81 KIF11 (0.57) S1PR1S1PR3KIF11IDO1NPC1
SCHEMBL31380444 0.81 KIF11 (0.57) S1PR1S1PR3KIF11IDO1NPC1
SCHEMBL3565690 0.81 S1PR1 (0.53) S1PR1S1PR3KIF11GSK3BIDO1
SCHEMBL3559671 0.80 S1PR1 (0.55) S1PR1S1PR3KIF11GSK3BIDO1
SCHEMBL3564509 0.80 S1PR1 (0.59) S1PR1S1PR3KIF11ALDH1A1
SCHEMBL4672168 0.80 LMNA (0.52) S1PR1S1PR3DYRK1AIDO1MAPT
SCHEMBL4027001 0.79 IDO1 (0.55) S1PR1S1PR3GSK3BIDO1
SCHEMBL13416990 0.79 S1PR1 (1.00) S1PR1S1PR3NPC1MAPTHTT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709501-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2010-05-04 US disclosed
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-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-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
US-7579347-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-08-25 US disclosed
WO-2006116563-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-11-02 WO disclosed
US-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol AMGEN INC. 2006-10-26 US disclosed
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2006-02-23 US disclosed
US-20060030618-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-02-09 US disclosed
US-20050272931-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
EP-1463714-A4 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC (US) 2005-10-19 EP disclosed
US-20050227986-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-10-13 US disclosed
EP-1463714-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2004-10-06 EP disclosed
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2003-10-16 US disclosed
WO-2003049702-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2003-06-19 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 (7 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-20050272931-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 S1PR1 1296/4885S1PR3 1219/4885KIF11 2210/4885
US-20060030618-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 S1PR1 1296/4885S1PR3 1219/4885KIF11 2210/4885
US-20030195201-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 S1PR1 1171/4885S1PR3 1185/4885KIF11 2440/4885
US-20050227986-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 S1PR1 1296/4885S1PR3 1219/4885KIF11 2210/4885
US-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 S1PR1 1296/4885S1PR3 1219/4885KIF11 2210/4885
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain OPRL1, CNR1, GPR6 S1PR1 1034/4885S1PR3 866/4885KIF11 4511/4885
US-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol TRPV1, HRH2, TRPA1 S1PR1 3705/4885S1PR3 3559/4885KIF11 2113/4885

“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.