SCHEMBL2024784

SCHEMBL2024784

CC1(C)OCC(CONC(=O)c2cc[n+]([O-])cc2Nc2ccc(I)cc2F)O1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAP2K2 P36507 5/20 0.41
PIM1 P11309 1/20 0.40
CAMK2B Q13554 1/20 0.40
MAP2K5 Q13163 2/20 0.40
EIF2AK1 Q9BQI3 1/20 0.40
BRAF P15056 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL12577492 1.00 MAP2K1 (0.47) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL2024343 0.83 MAP2K1 (0.51) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL2023262 0.83 MAP2K1 (0.51) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL2023048 0.83 MAP2K1 (0.51) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL4851889 0.81 MAP2K1 (0.62) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL30584462 0.81 MAP2K1 (0.62) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL4852779 0.81 MAP2K1 (0.62) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL2020051 0.81 MAP2K1 (0.46) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL3527636 0.80 MAP2K1 (0.47) MAP2K1MEN1KMT2ATDP1MAP2K2
SCHEMBL3529546 0.80 MAP2K1 (0.47) MAP2K1MEN1KMT2ATDP1MAP2K2

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 18 patents. 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-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-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-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-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
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 105/4885MEN1 2433/4885KMT2A 2014/4885
US-20120295889-A1 3-Arylamino Pyridine Derivatives MAPK3, BRAF, NRAS MAP2K1 105/4885MEN1 2433/4885KMT2A 2014/4885
US-20140051686-A1 3-Arylamino Pyridine Derivatives MAPK3, BRAF, NRAS MAP2K1 105/4885MEN1 2433/4885KMT2A 2014/4885
US-20090093462-A1 3-Arylamino pyridine derivatives CDK4, BRAF, CDK3 MAP2K1 119/4885MEN1 2387/4885KMT2A 2174/4885

“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.