SCHEMBL1325643

SCHEMBL1325643

O=C1/C(=C\c2ccccc2F)CNC/C1=C\c1ccccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 1.00
DYRK2 Q92630 3/20 1.00
RAF1 P04049 2/20 1.00
RPS6KB1 P23443 2/20 1.00
MAPK1 P28482 2/20 1.00
AKT1 P31749 2/20 1.00
AKT2 P31751 2/20 1.00
KDR P35968 2/20 1.00
PRKAG1 P54619 2/20 1.00
MAP2K1 Q02750 2/20 1.00
PRKAA1 Q13131 2/20 1.00
MAPK14 Q16539 2/20 1.00
NEK1 Q96PY6 2/20 1.00
PRKAB1 Q9Y478 2/20 1.00
ACHE P22303 1/20 0.54
FGFR1 P11362 1/20 0.51
IGF1R P08069 1/20 0.50
EGFR P00533 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
PRDX1 Q06830 1/20 0.49

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
SCHEMBL29786707 1.00 IKBKB (1.00) IKBKBDYRK2RAF1RPS6KB1MAPK1
SCHEMBL1325644 1.00 IKBKB (1.00) IKBKBDYRK2RAF1RPS6KB1MAPK1
SCHEMBL30593591 1.00 IKBKB (1.00) IKBKBDYRK2RAF1RPS6KB1MAPK1
SCHEMBL29363457 1.00 IKBKB (1.00) IKBKBDYRK2RAF1RPS6KB1MAPK1
SCHEMBL8119310 1.00 IKBKB (1.00) IKBKBDYRK2RAF1RPS6KB1MAPK1
Hydrochloric Acid SCHEMBL29359400 0.98 IKBKB (0.96) IKBKBDYRK2RAF1RPS6KB1MAPK1
Acetic Acid SCHEMBL3187366 0.91 IKBKB (0.82) IKBKBDYRK2RAF1RPS6KB1MAPK1
Acetic Acid SCHEMBL3187370 0.91 IKBKB (0.82) IKBKBDYRK2RAF1RPS6KB1MAPK1
SCHEMBL17300373 0.81 IKBKB (0.67) IKBKBDYRK2RAF1RPS6KB1MAPK1
SCHEMBL8128818 0.80 IKBKB (0.67) IKBKBDYRK2RAF1RPS6KB1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590147-B1 Spirooxindole-pyrrolothiazole heterocyclic hybrids KING SAUD UNIVERSITY (SA) 2020-03-17 US claimed
US-9173839-B2 Anionic lipids and lipid nano-structures and methods of producing and using same THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2015-11-03 US claimed
US-20130243688-A1 ANIONIC LIPIDS AND LIPID NANO-STRUCTURES AND METHODS OF PRODUCING AND USING SAME UNIV OKLAHOMA (US) 2013-09-19 US claimed
US-8420118-B2 Anionic lipids and lipid nano-structures and methods of producing and using same THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2013-04-16 US claimed
WO-2011031849-A2 ANIONIC LIPIDS AND LIPID NANOSTRUCTURES AND METHODS OF PRODUCING AND USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2011-03-17 WO claimed
US-20110059157-A1 ANIONIC LIPIDS AND LIPID NANO-STRUCTURES AND METHODS OF PRODUCING AND USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2011-03-10 US claimed
US-6664272-B2 Such as 1,5-Bis-(2, 4-difluorophenyl)penta-1,4-diene-3 -one; administering to inhibit tissue factor and vascular endothelial growth factor (VEGF) production in cancerous tissue EMORY UNIVERSITY 2003-12-16 US claimed
US-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 US disclosed
EP-2827890-B1 IMMUNOMODULATORY AGENT AND USES THEREFOR UNIV QUEENSLAND (AU) 2019-08-28 EP disclosed
EP-2441452-B1 PHARMACEUTICAL COMPOSITION AND USE OF THE PHARMACEUTICAL COMPOSITION FOR THE TREATMENT, PROPHYLAXIS OR PREVENTION OF NEOPLASTIC DISEASES IN HUMANS AND ANIMALS UNIV ANHANGUERA DE SAO PAULO UNIAN SP (BR) 2018-12-26 EP disclosed
US-9359196-B2 Antiproliferative compositions comprising curcumin analogs and methods of producing and using same THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2016-06-07 US disclosed
US-9173839-B2 Anionic lipids and lipid nano-structures and methods of producing and using same THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2015-11-03 US disclosed
US-20150216955-A1 IMMUNOMODULATORY AGENT AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2015-08-06 US disclosed
US-20060229239-A9 Novel curcuminoid-factor VIIa constructs as suppressors of tumor growth and angiogenesis SHOJI MAMORU 2006-10-12 US disclosed
EP-1572078-A4 NOVEL CURCUMINOID-FACTOR VIIa CONSTRUCTS AS SUPPRESSORS OF TUMOR GROWTH AND ANGIOGENESIS UNIV EMORY (US) 2006-08-09 EP disclosed
EP-1572078-A2 NOVEL CURCUMINOID-FACTOR VIIa CONSTRUCTS AS SUPPRESSORS OF TUMOR GROWTH AND ANGIOGENESIS Emory University (US) 2005-09-14 EP disclosed
US-20050069551-A1 Cytotoxic compound-protein conjugates as suppressors of tumor growth and angiogenesis EMORY UNIVERSITY 2005-03-31 US disclosed
WO-2005025623-A2 EF-24-FACTOR VII CONJUGATES EMORY UNIVERSITY (US) 2005-03-24 WO disclosed
US-20040009914-A1 Novel curcuminoid-factor VIIa constructs as suppressors of tumor growth and angiogenesis US GOVERNMENT - SECRETARY OF THE ARMY 2004-01-15 US disclosed
WO-2003075847-A2 NOVEL CURCUMINOID-FACTOR VIIa CONSTRUCTS AS SUPPRESSORS OF TUMOR GROWTH AND ANGIOGENESIS EMORY UNIVERSITY (US) 2003-09-18 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-20150216955-A1 IMMUNOMODULATORY AGENT AND USES THEREFOR HLA-DRB1, CD74, CHI3L1 IKBKB 584/4885DYRK2 4085/4885RAF1 4404/4885
US-20060229239-A9 Novel curcuminoid-factor VIIa constructs as suppressors of tumor growth and angiogenesis F13B, F13A1, HABP2 IKBKB 462/4885DYRK2 4139/4885RAF1 2623/4885
US-10590147-B1 Spirooxindole-pyrrolothiazole heterocyclic hybrids BRD9, BRWD1, BRD7 IKBKB 2776/4885DYRK2 1383/4885RAF1 508/4885
US-20040009914-A1 Novel curcuminoid-factor VIIa constructs as suppressors of tumor growth and angiogenesis F13B, F13A1, HABP2 IKBKB 462/4885DYRK2 4139/4885RAF1 2623/4885
US-20050069551-A1 Cytotoxic compound-protein conjugates as suppressors of tumor growth and angiogenesis VEGFA, AGER, HDGF IKBKB 1354/4885DYRK2 3834/4885RAF1 2562/4885
US-20130243688-A1 ANIONIC LIPIDS AND LIPID NANO-STRUCTURES AND METHODS OF PRODUCING AND USING SAME SGMS2, SGMS1, PHOSPHO1 IKBKB 4749/4885DYRK2 3848/4885RAF1 2160/4885
US-20110059157-A1 ANIONIC LIPIDS AND LIPID NANO-STRUCTURES AND METHODS OF PRODUCING AND USING SAME SGMS2, SGMS1, PHOSPHO1 IKBKB 4749/4885DYRK2 3848/4885RAF1 2160/4885

“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.