SCHEMBL2018545

SCHEMBL2018545

CNCCNc1nnc(-c2ccncc2Nc2ccc(Br)cc2F)o1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.38
FLT1 P17948 7/20 0.38
EGFR P00533 3/20 0.34
GAA P10253 1/20 0.33
CDC7 O00311 6/20 0.33
CCNE1 P24864 6/20 0.33
CDK2 P24941 6/20 0.33
DBF4 Q9UBU7 6/20 0.33
RET P07949 1/20 0.32
KIF5B P33176 1/20 0.32
NUDT1 P36639 1/20 0.32

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
SCHEMBL2024339 0.89 GAA (0.36) KDRFLT1EGFRGAA
SCHEMBL5474880 0.79 DGAT1 (0.40) KDREGFRGAARETKIF5B
SCHEMBL5483264 0.77 MAP2K1 (0.46) KDR
SCHEMBL5478055 0.77 MAP2K1 (0.38) KDRFLT1
SCHEMBL3973256 0.76 MAP2K1 (0.34) KDRFLT1EGFR
SCHEMBL392342 0.75 MAP2K1 (0.47) KDRFLT1
SCHEMBL5477603 0.75 MAP2K1 (0.41) KDRFLT1NUDT1
SCHEMBL2029046 0.74 ALOX12 (0.42) KDRFLT1EGFRCDC7CCNE1
SCHEMBL5481765 0.73 CHRNA7 (0.44)
SCHEMBL5485682 0.72 CHRNA7 (0.45)

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 22 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-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-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

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 KDR 176/4885FLT1 175/4885EGFR 98/4885
US-20120295889-A1 3-Arylamino Pyridine Derivatives MAPK3, BRAF, NRAS KDR 176/4885FLT1 175/4885EGFR 98/4885
US-20140051686-A1 3-Arylamino Pyridine Derivatives MAPK3, BRAF, NRAS KDR 176/4885FLT1 175/4885EGFR 98/4885
US-20090093462-A1 3-Arylamino pyridine derivatives CDK4, BRAF, CDK3 KDR 174/4885FLT1 186/4885EGFR 99/4885

“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.