SCHEMBL146809

SCHEMBL146809

O=c1ccc(CF)cn1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
CYP1A2 P05177 1/20 0.55
HPGD P15428 1/20 0.55
BLM P54132 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.36
COMT P21964 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
ATM Q13315 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
PTGS2 P35354 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL16541518 0.89 KDM4E (0.40) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL17612710 0.84 KDM4E (0.39) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL10079855 0.82 ALDH1A1 (0.41) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL10059426 0.82 MGLL (0.44) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL142233 0.82 NR1H3 (0.38) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL14532059 0.82 ALDH1A1 (0.51) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL16541517 0.82 IDH1 (0.45) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL23619123 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL147797 0.81 KDM4E (0.55) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL3729672 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ECYP1A2HPGDBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010536-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2018-07-03 US disclosed
US-10010536-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2018-07-03 US disclosed
US-20170095462-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. 2017-04-06 US disclosed
US-20170095462-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. 2017-04-06 US disclosed
US-9527816-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2016-12-27 US disclosed
US-9527816-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2016-12-27 US disclosed
EP-2591784-B1 Pyridine-2-one-derivatives as modulators of stress-activated protein kinase system INTERMUNE INC (US) 2016-09-14 EP disclosed
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
EP-1928454-B1 PYRIDONE DERIVATIVES FOR MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE INC (US) 2014-09-24 EP disclosed
WO-2010085805-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. (US) 2010-07-29 WO disclosed
US-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. 2010-07-29 US disclosed
US-7728013-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2010-06-01 US disclosed
US-7728013-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2010-06-01 US disclosed
US-20100029578-A1 Methods of Treating Atrial Fibrillation with P38 Inhibitor Compounds INTERMUNE, INC. 2010-02-04 US disclosed
US-20100029578-A1 Methods of Treating Atrial Fibrillation with P38 Inhibitor Compounds INTERMUNE, INC. 2010-02-04 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed
WO-2007062167-A9 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE INC (US) 2007-07-26 WO disclosed
WO-2007062167-A2 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. (US) 2007-05-31 WO disclosed
WO-2007053685-A2 METHODS OF TREATING ATRIAL FIBRILLATION WITH P38 INHIBITOR COMPOUNDS INTERMUNE, INC. (US) 2007-05-10 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-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS TNNI3, FABP3, TNNT2 ALDH1A1 94/4885KDM4E 2408/4885CYP1A2 2127/4885
US-20100029578-A1 Methods of Treating Atrial Fibrillation with P38 Inhibitor Compounds ATF1, MAPKAPK3, MAPKAPK2 ALDH1A1 900/4885KDM4E 4212/4885CYP1A2 1526/4885
US-10010536-B2 Method of modulating stress-activated protein kinase system MAPKAPK2, MAP3K6, MAP4K1 ALDH1A1 3375/4885KDM4E 3655/4885CYP1A2 2848/4885
US-20170095462-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM MAPKAPK2, MAP3K6, MAP4K1 ALDH1A1 3375/4885KDM4E 3655/4885CYP1A2 2848/4885
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 ALDH1A1 2054/4885KDM4E 3381/4885CYP1A2 3246/4885

“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.