SCHEMBL2021802

SCHEMBL2021802

O=C(NCCCN1CCCC1=O)c1ccncc1Nc1ccc(I)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 6/20 0.56
MAP2K2 P36507 3/20 0.56
PRKCZ Q05513 1/20 0.56
IARS2 Q9NSE4 1/20 0.56
ALDH1A1 P00352 3/20 0.53
TSHR P16473 1/20 0.53
TGFBR1 P36897 2/20 0.50
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL2020048 0.83 MAP2K1 (0.58) MAP2K1MAP2K2PRKCZIARS2TGFBR1
SCHEMBL2024494 0.82 MAP2K1 (0.58) MAP2K1MAP2K2PRKCZIARS2ALDH1A1
SCHEMBL2022484 0.82 MAP2K1 (0.61) MAP2K1MAP2K2PRKCZIARS2TGFBR1
SCHEMBL20618306 0.81 MAP2K1 (0.71) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL2024492 0.80 MAP2K1 (0.70) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL2020571 0.80 MAP2K1 (0.67) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL2018924 0.80 MAP2K1 (0.59) MAP2K1MAP2K2PRKCZIARS2ALDH1A1
SCHEMBL2020561 0.79 MAP2K1 (0.74) MAP2K1MAP2K2PRKCZIARS2CYP3A4
SCHEMBL2025063 0.79 MAP2K1 (0.59) MAP2K1MAP2K2PRKCZIARS2KMT2A
SCHEMBL2025345 0.77 MAP2K1 (0.67) MAP2K1MAP2K2PRKCZIARS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802579-B1 Derivatives of 3-arylaminopyridine MERCK SERONO SA (CH) 2013-11-20 EP claimed
US-20120295889-A1 3-Arylamino Pyridine Derivatives MERCK SERONO S.A. (CH) 2012-11-22 US claimed
US-8198457-B2 3-arylamino pyridine derivatives MERCK SERONO S.A. (CH) 2012-06-12 US claimed
US-20110224192-A1 3-Arylamino Pyridine Derivatives MERCK SERONO SA (CH) 2011-09-15 US claimed
US-7956191-B2 3-arylamino pyridine derivatives MERCK SERONO SA (CH) 2011-06-07 US claimed
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-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 105/4885MAP2K2 104/4885PRKCZ 1803/4885
US-20120295889-A1 3-Arylamino Pyridine Derivatives MAPK3, BRAF, NRAS MAP2K1 105/4885MAP2K2 104/4885PRKCZ 1803/4885
US-20140051686-A1 3-Arylamino Pyridine Derivatives MAPK3, BRAF, NRAS MAP2K1 105/4885MAP2K2 104/4885PRKCZ 1803/4885
US-20090093462-A1 3-Arylamino pyridine derivatives CDK4, BRAF, CDK3 MAP2K1 119/4885MAP2K2 116/4885PRKCZ 1909/4885

“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.