SCHEMBL8518174

SCHEMBL8518174

CC(=O)c1cnc(Cl)nc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 17/20 0.62
ATF1 P18846 12/20 0.62
XPO1 O14980 5/20 0.61
JUN P05412 6/20 0.59
NFKB2 Q00653 6/20 0.59
RELA Q04206 6/20 0.59

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
SCHEMBL480176 0.84 XPO1 (0.62) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL79014 0.84 NFKB1 (0.60) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL17315283 0.83 NFKB1 (0.58) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL9564861 0.83 NFKB1 (0.58) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL473934 0.82 ATF1 (0.62) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL15290081 0.82 NFKB1 (0.56) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL9564875 0.81 NFKB1 (0.57) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL15273207 0.81 NFKB1 (0.54) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL18081471 0.81 NFKB1 (0.51) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL8398500 0.80 NFKB1 (0.53) NFKB1ATF1XPO1JUNNFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286948-A1 HALOALKYLPYRIDYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC 2023-09-14 US disclosed
US-20200138812-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS LLC (US) 2020-05-07 US disclosed
US-20200138812-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS LLC (US) 2020-05-07 US disclosed
US-20180133220-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS VITAE PHARMACEUTICALS, LLC 2018-05-17 US disclosed
US-20180133220-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS VITAE PHARMACEUTICALS, LLC 2018-05-17 US disclosed
US-20180133220-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS VITAE PHARMACEUTICALS, LLC 2018-05-17 US disclosed
US-20180117041-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, INC. 2018-05-03 US disclosed
US-20180117041-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, INC. 2018-05-03 US disclosed
US-20180117041-A1 LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, INC. 2018-05-03 US disclosed
US-20170231992-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS VITAE PHARMACEUTICALS, INC. 2017-08-17 US disclosed
WO-2013138568-A1 LIVER X RECEPTION MODULATORS VITAE PHARMACEUTICALS, INC. (US) 2013-09-19 WO disclosed
WO-2013138568-A1 LIVER X RECEPTION MODULATORS VITAE PHARMACEUTICALS, INC. (US) 2013-09-19 WO disclosed
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 US disclosed
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 US disclosed
US-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 US disclosed
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-5935966-A COMPOUNDS THAT BLOCK THE ACTIVATION OF TRANSCRIPTION FACTORS THROUGH INHIBITION OF A FAMILY OF SPECIFIC KINASES, DECREASING PROINFLAMMATORY PROTEINS TO TREAT AUTOIMMUNE DISEASES AND AS GENERAL ANTIINFLAMMATORY AGENTS SIGNAL PHARMACEUTICALS, INC. (US) 1999-08-10 US disclosed
US-5852028-A Pyrimidine carboxylates and related compounds and methods for treating inflammatory conditions SIGNAL PHARMACEUTICALS, INC. (US) 1998-12-22 US disclosed
WO-1998038171-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1998-09-03 WO disclosed
WO-1997009325-A1 PYRIMIDINE CARBOXYLATES AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1997-03-13 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-20180117041-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 NFKB1 2853/4885ATF1 2247/4885XPO1 787/4885
US-20170231992-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS TNNI3, FABP3, TNNT2 NFKB1 1156/4885ATF1 221/4885XPO1 4057/4885
US-20230286948-A1 HALOALKYLPYRIDYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR WDR5, WDR1, WDR3 NFKB1 2888/4885ATF1 551/4885XPO1 1133/4885
US-20200138812-A1 LIVER X RECEPTOR MODULATORS SLC10A1, NR1H4, NR1H2 NFKB1 2853/4885ATF1 2247/4885XPO1 787/4885
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 NFKB1 2616/4885ATF1 1190/4885XPO1 2382/4885
US-20180133220-A1 COMPOUNDS FOR USE IN TREATING ACUTE CORONARY SYNDROME AND RELATED CONDITIONS TNNI3, FABP3, TNNT2 NFKB1 1156/4885ATF1 221/4885XPO1 4057/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A NFKB1 2991/4885ATF1 225/4885XPO1 3505/4885

“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.