SCHEMBL2021874

SCHEMBL2021874

CCC(N)Oc1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TP53 P04637 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 3/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
JAK2 O60674 1/20 0.44
BCHE P06276 1/20 0.37
TYR P14679 1/20 0.37
ACHE P22303 1/20 0.37
ALOX15 P16050 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL7559302 0.82 TSHR (0.52) TSHRTP53CA1CA2LMNA
SCHEMBL7596823 0.80 TSHR (0.50) TSHRTP53CA1CA2LMNA
SCHEMBL2349413 0.78 TSHR (0.48) TSHRTP53CA1CA2LMNA
SCHEMBL10552288 0.78 SCN4A (0.47) TSHRTP53LMNAALOX15KDM4E
SCHEMBL3170714 0.78 TSHR (0.48) TSHRTP53CA1CA2LMNA
SCHEMBL7413393 0.78 CA12 (0.52) TSHRCA1CA2LMNAMAPK1
SCHEMBL1837438 0.78 TSHR (0.44) TSHRTP53CA1CA2LMNA
SCHEMBL19973199 0.78 TSHR (0.52) TSHRTP53CA1CA2LMNA
SCHEMBL11705985 0.77 ALDH1A1 (0.42) LMNAMAPTALDH1A1HPGDTDP1
SCHEMBL10879375 0.77 TSHR (0.52) TSHRTP53CA1CA2LMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 1101/4885TP53 181/4885CA1 4883/4885
US-20120295889-A1 3-Arylamino Pyridine Derivatives MAPK3, BRAF, NRAS TSHR 1101/4885TP53 181/4885CA1 4883/4885
US-20140051686-A1 3-Arylamino Pyridine Derivatives MAPK3, BRAF, NRAS TSHR 1101/4885TP53 181/4885CA1 4883/4885
US-20090093462-A1 3-Arylamino pyridine derivatives CDK4, BRAF, CDK3 TSHR 1273/4885TP53 124/4885CA1 4884/4885

“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.