SCHEMBL2021797

SCHEMBL2021797

O=C(O)c1cc[n+]([O-])cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALB P02768 2/20 0.38
KDM4E B2RXH2 3/20 0.36
ASPH Q12797 2/20 0.36
KDM8 Q8N371 2/20 0.36
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 1/20 0.34
CYP1A2 P05177 1/20 0.34
ACMSD Q8TDX5 2/20 0.34
CYP3A4 P08684 1/20 0.34
KEAP1 Q14145 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
DHFR P00374 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
TTR P02766 1/20 0.33
HMGB1 P09429 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
SCHEMBL1015022 0.81 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1ALOX15
SCHEMBL1015021 0.81 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1ALOX15
SCHEMBL22717339 0.78 MAPT (0.47) KMT2AKDM4EALDH1A1CYP1A2HSD17B10
SCHEMBL3659496 0.76 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1ALOX15
SCHEMBL31132874 0.76 ALDH1A1 (0.47) MEN1KMT2AKDM4EALDH1A1ALOX15
SCHEMBL14738587 0.76 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1ALOX15
SCHEMBL21979547 0.76 ALDH1A1 (0.47) MEN1KMT2AKDM4EALDH1A1ALOX15
SCHEMBL31132730 0.76 MEN1 (0.42) MEN1KMT2AKDM4EASPHALDH1A1
SCHEMBL8847188 0.73 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1ALOX15
SCHEMBL4881052 0.72 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1ALOX15

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841459-B2 3-arylamino pyridine derivatives MERCK SERONO SA (CH) 2014-09-23 US disclosed
US-8841459-B2 3-arylamino pyridine derivatives MERCK SERONO SA (CH) 2014-09-23 US disclosed
US-20140051686-A1 3-Arylamino Pyridine Derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2014-02-20 US disclosed
US-20140051686-A1 3-Arylamino Pyridine Derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2014-02-20 US disclosed
EP-1802579-B1 Derivatives of 3-arylaminopyridine MERCK SERONO SA (CH) 2013-11-20 EP disclosed
US-8524911-B2 3-arylamino pyridine derivatives MERCK SERONO SA (CH) 2013-09-03 US disclosed
US-8524911-B2 3-arylamino pyridine derivatives MERCK SERONO SA (CH) 2013-09-03 US disclosed
US-20120295889-A1 3-Arylamino Pyridine Derivatives MERCK SERONO S.A. (CH) 2012-11-22 US disclosed
US-20120295889-A1 3-Arylamino Pyridine Derivatives MERCK SERONO S.A. (CH) 2012-11-22 US disclosed
US-8198457-B2 3-arylamino pyridine derivatives MERCK SERONO S.A. (CH) 2012-06-12 US disclosed
US-8198457-B2 3-arylamino pyridine derivatives MERCK SERONO S.A. (CH) 2012-06-12 US disclosed
US-20110224192-A1 3-Arylamino Pyridine Derivatives MERCK SERONO SA (CH) 2011-09-15 US disclosed
US-20110224192-A1 3-Arylamino Pyridine Derivatives MERCK SERONO SA (CH) 2011-09-15 US disclosed
US-7956191-B2 3-arylamino pyridine derivatives MERCK SERONO SA (CH) 2011-06-07 US disclosed
US-7956191-B2 3-arylamino pyridine derivatives MERCK SERONO SA (CH) 2011-06-07 US disclosed
US-20090093462-A1 3-Arylamino pyridine derivatives MERCK SERONO SA (CH) 2009-04-09 US disclosed
US-20090093462-A1 3-Arylamino pyridine derivatives MERCK SERONO SA (CH) 2009-04-09 US disclosed
EP-1802579-A1 3-ARYLAMINO PYRIDINE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2007-07-04 EP disclosed
WO-2006045514-A1 3-ARYLAMINO PYRIDINE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2006-05-04 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 (4 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-20110224192-A1 3-Arylamino Pyridine Derivatives MAPK3, BRAF, NRAS MEN1 2433/4885KMT2A 2014/4885ALB 4110/4885
US-20120295889-A1 3-Arylamino Pyridine Derivatives MAPK3, BRAF, NRAS MEN1 2433/4885KMT2A 2014/4885ALB 4110/4885
US-20140051686-A1 3-Arylamino Pyridine Derivatives MAPK3, BRAF, NRAS MEN1 2433/4885KMT2A 2014/4885ALB 4110/4885
US-20090093462-A1 3-Arylamino pyridine derivatives CDK4, BRAF, CDK3 MEN1 2387/4885KMT2A 2174/4885ALB 4032/4885

“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.