SCHEMBL2020561

SCHEMBL2020561

O=C(NCCO)c1ccncc1Nc1ccc(I)cc1F

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.74
MAP2K2 P36507 5/20 0.74
PRKCZ Q05513 1/20 0.74
IARS2 Q9NSE4 1/20 0.74
PDE10A Q9Y233 1/20 0.46
PIM1 P11309 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL20618306 0.93 MAP2K1 (0.71) MAP2K1MAP2K2PRKCZIARS2PIM1
SCHEMBL2024492 0.92 MAP2K1 (0.70) MAP2K1MAP2K2PRKCZIARS2PIM1
SCHEMBL2020571 0.88 MAP2K1 (0.67) MAP2K1MAP2K2PRKCZIARS2PIM1
SCHEMBL2025345 0.88 MAP2K1 (0.67) MAP2K1MAP2K2PRKCZIARS2PIM1
SCHEMBL2018104 0.87 MAP2K1 (0.72) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL2023267 0.86 MAP2K1 (0.69) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL2019013 0.85 MAP2K1 (0.69) MAP2K1MAP2K2PRKCZIARS2
Pimasertib SCHEMBL2021184 0.85 MAP2K1 (1.00) MAP2K1MAP2K2PRKCZIARS2PDE10A
Pimasertib SCHEMBL22046269 0.85 MAP2K1 (1.00) MAP2K1MAP2K2PRKCZIARS2PDE10A
Pimasertib SCHEMBL2720659 0.85 MAP2K1 (1.00) MAP2K1MAP2K2PRKCZIARS2PDE10A

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 30 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
CN-101065358-A 3-arylamino pyridine derivatives APPLIED RESEARCH SYSTEMS (AN) 2007-10-31 CN 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-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.