SCHEMBL2020643

SCHEMBL2020643

O=C(NOCc1ccccc1)c1ccncc1Nc1ccc(I)cc1F

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.58
MAP2K2 P36507 3/20 0.58
PRKCZ Q05513 1/20 0.58
IARS2 Q9NSE4 1/20 0.58
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 2/20 0.47
KCNH2 Q12809 2/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL2024625 0.88 NPC1 (0.52) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL2017628 0.87 MAP2K1 (0.59) MAP2K1MAP2K2PRKCZIARS2CYP2C9
SCHEMBL2025456 0.87 MAP2K1 (0.61) MAP2K1MAP2K2PRKCZIARS2CYP2C9
SCHEMBL2022168 0.85 MAP2K1 (0.65) MAP2K1MAP2K2PRKCZIARS2CYP2C9
SCHEMBL2017915 0.85 MAP2K1 (0.67) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL2023267 0.83 MAP2K1 (0.69) MAP2K1MAP2K2PRKCZIARS2
Hydrochloric Acid SCHEMBL2018907 0.82 MAP2K1 (0.68) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL2023520 0.81 MAP2K1 (0.59) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL2024960 0.81 MAP2K1 (0.74) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL2022966 0.81 MAP2K1 (0.74) 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 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
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-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
CN-101065358-A 3-arylamino pyridine derivatives APPLIED RESEARCH SYSTEMS (AN) 2007-10-31 CN 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.