SCHEMBL443863

SCHEMBL443863

FC(F)(F)c1ccc(-c2ccnc(Cl)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.47
TRPV3 Q8NET8 1/20 0.45
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
TOP1 P11387 2/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
ALOX5 P09917 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMO O15229 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 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
SCHEMBL4455134 0.84 KMO (0.44) S1PR1S1PR3GABRA1GABRG2GABRB3
SCHEMBL3565439 0.84 SYK (0.42) TRPV3S1PR1S1PR3TOP1GABRA1
SCHEMBL3560875 0.84 KDM4E (0.46) S1PR1S1PR3TOP1GABRA1GABRG2
SCHEMBL12616652 0.82 KMO (0.46) TRPV3IDO1TDO2MAPTL3MBTL1
SCHEMBL28267570 0.81 MEN1 (0.54) KIF11TRPV3S1PR1S1PR3TOP1
SCHEMBL446173 0.81 MEN1 (0.58) TRPV3ALOX5MAPTL3MBTL1KMO
SCHEMBL3563087 0.80 IDO1 (0.39) KIF11TRPV3S1PR1S1PR3TOP1
SCHEMBL21327010 0.79 CHRNA7 (0.47) TRPV3GABRA1GABRG2GABRB3GABRA3
SCHEMBL7210451 0.79 NPC1 (0.47) GABRA1GABRG2GABRB3GABRA3MAPT
SCHEMBL441888 0.79 MAPT (0.59) MAPTL3MBTL1KMOMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118047763-A Saturated nitrogen heterocyclic compound containing pyrimidine structure, and preparation method and application thereof 贵州大学 2024-05-17 CN disclosed
EP-3106464-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2016-12-21 EP disclosed
EP-2861594-B1 NOVEL COMPOUNDS CONVERGENCE PHARMACEUTICALS (GB) 2016-08-24 EP disclosed
US-20160184306-A1 Novel Pyrimidinyl-DiazoSpiro Compounds Convergence Pharmaceuticals Limited (GB) 2016-06-30 US disclosed
EP-2379535-B1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC (US) 2016-06-15 EP disclosed
US-9309254-B2 Pyrimidinyl-diazospiro compounds Convergence Pharmaceuticals Limited (GB) 2016-04-12 US disclosed
US-20150119404-A1 NOVEL COMPOUNDS CONVERGANCE PHARMACEUTICALS LIMITED (GB) 2015-04-30 US disclosed
EP-2861594-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2015-04-22 EP disclosed
US-9012651-B2 TRPV3 modulators ABBVIE INC. (US) 2015-04-21 US disclosed
EP-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7148221-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-12 US disclosed
US-7144888-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-05 US disclosed
EP-1717220-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-11-02 EP disclosed
EP-1688408-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-08-09 EP disclosed
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
EP-1546116-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2005-06-29 EP disclosed
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-04-29 US disclosed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 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 (5 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-20160184306-A1 Novel Pyrimidinyl-DiazoSpiro Compounds TRPV1, KCNJ2, KCNN2 KIF11 4014/4885TRPV3 19/4885S1PR1 401/4885
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 KIF11 2278/4885TRPV3 3/4885S1PR1 1267/4885
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 KIF11 2278/4885TRPV3 3/4885S1PR1 1267/4885
US-20150119404-A1 NOVEL COMPOUNDS KCNJ2, KCNN3, KCNN2 KIF11 3592/4885TRPV3 13/4885S1PR1 407/4885
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 KIF11 2444/4885TRPV3 3/4885S1PR1 1132/4885

“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.