SCHEMBL2025895

SCHEMBL2025895

O=C(O)c1ccnc(Cl)c1Nc1ccc(Br)cc1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 12/20 0.52
KDM4E B2RXH2 2/20 0.50
MAP2K2 P36507 1/20 0.44
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL2027158 0.85 MAP2K1 (0.63) MAP2K1KDM4EMAP2K2
SCHEMBL392120 0.81 MAP2K1 (0.57) MAP2K1MAP2K2LMNANPC1ALDH1A1
SCHEMBL27679456 0.78 MAP2K1 (0.55) MAP2K1MAP2K2
SCHEMBL1488379 0.78 MAP2K1 (0.71) MAP2K1MAP2K2LMNANPC1ALDH1A1
SCHEMBL27659429 0.76 KEAP1 (0.50) MAP2K1MAP2K2LMNANPC1ALDH1A1
SCHEMBL29413390 0.75 KDM4C (0.51) MAP2K1MAP2K2LMNANPC1ALDH1A1
SCHEMBL1488650 0.75 KDM4C (0.51) MAP2K1MAP2K2LMNANPC1ALDH1A1
SCHEMBL3974682 0.75 MAP2K1 (0.53) MAP2K1KDM4EMAP2K2
SCHEMBL2028212 0.74 MAP2K1 (0.64) MAP2K1MAP2K2
SCHEMBL3424609 0.74 MAP2K1 (0.51) MAP2K1KDM4EMAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093462-A1 3-Arylamino pyridine derivatives MERCK SERONO SA (CH) 2009-04-09 US claimed
EP-1802579-A1 3-ARYLAMINO PYRIDINE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2007-07-04 EP claimed
WO-2006045514-A1 3-ARYLAMINO PYRIDINE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2006-05-04 WO claimed
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-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-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
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 MAP2K1 105/4885KDM4E 797/4885MAP2K2 104/4885
US-20120295889-A1 3-Arylamino Pyridine Derivatives MAPK3, BRAF, NRAS MAP2K1 105/4885KDM4E 797/4885MAP2K2 104/4885
US-20140051686-A1 3-Arylamino Pyridine Derivatives MAPK3, BRAF, NRAS MAP2K1 105/4885KDM4E 797/4885MAP2K2 104/4885
US-20090093462-A1 3-Arylamino pyridine derivatives CDK4, BRAF, CDK3 MAP2K1 119/4885KDM4E 873/4885MAP2K2 116/4885

“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.