SCHEMBL2243533

SCHEMBL2243533

FC(F)(F)c1ccnc(NC2CCNCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
IKBKB O14920 4/20 0.54
IDH1 O75874 3/20 0.51
IDH2 P48735 1/20 0.51
SYK P43405 1/20 0.51
PIK3CA P42336 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAPK8 P45983 2/20 0.48
MKNK1 Q9BUB5 1/20 0.48
HRH3 Q9Y5N1 2/20 0.48
ADRB1 P08588 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
CCND1 P24385 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
HRH4 Q9H3N8 1/20 0.46

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
Hydrochloric Acid SCHEMBL3775270 0.99 MAPK1 (0.53) MAPK1IKBKBIDH1IDH2SYK
SCHEMBL12526259 0.92 IDH2 (0.50) MAPK1IKBKBIDH1IDH2SYK
SCHEMBL30775331 0.89 IDH1 (0.57) IDH1IDH2SYKHDAC8HRH4
SCHEMBL3808227 0.82 IDH1 (0.51) MAPK1IDH1IDH2SYKMAPK8
Hydrochloric Acid SCHEMBL6152965 0.78 HRH4 (0.54) IDH1IDH2SYKHRH3ADRB1
SCHEMBL8303185 0.77 HRH3 (0.59) MAPK1IKBKBMAPK8MKNK1HRH3
SCHEMBL12389843 0.77 IKBKB (0.58) MAPK1IKBKBMAPK8MKNK1HRH3
SCHEMBL6508763 0.77 IKBKB (0.58) MAPK1IKBKBMAPK8MKNK1HRH3
SCHEMBL2617750 0.77 MAPK1 (0.58) MAPK1IDH1PIK3CAKCNH2HRH3
SCHEMBL13853242 0.76 CYP1A2 (0.50) MAPK1IKBKBPIK3CAKCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1989106-B N-hydroxyamide derivatives and their use MERCK SERONO SA 2013-12-04 CN disclosed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 EP disclosed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-8008302-B2 ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis MERCK SERONO SA (CH) 2011-08-30 US disclosed
US-7855194-B2 Pyrimidine, quinazoline, pteridine and triazine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-21 US disclosed
US-7855194-B2 Pyrimidine, quinazoline, pteridine and triazine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-21 US disclosed
EP-2001867-B1 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US disclosed
WO-2007110340-A2 PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-04 WO disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-09-27 US disclosed
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-09-27 US disclosed
CN-1989106-A N-hydroxyamide derivatives and their use APPLIED RESEARCH SYSTEMS (AN) 2007-06-27 CN disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 US disclosed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 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-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 MAPK1 1388/4885IKBKB 1546/4885IDH1 709/4885
US-20070225271-A1 Pyrimidine, quinazoline, pteridine and triazine derivatives SSTR5, SSTR3, SSTR1 MAPK1 2179/4885IKBKB 3559/4885IDH1 2178/4885
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD MAPK1 2873/4885IKBKB 841/4885IDH1 1739/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 MAPK1 1388/4885IKBKB 1546/4885IDH1 709/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD MAPK1 2829/4885IKBKB 910/4885IDH1 1663/4885

“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.