SCHEMBL3609561

SCHEMBL3609561

NC(=O)c1cc(-c2ccnc(C=Cc3ccc(F)cc3)c2)[nH]c1N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 9/20 0.50
AURKA O14965 2/20 0.46
JAK2 O60674 2/20 0.46
LCK P06239 2/20 0.46
MET P08581 2/20 0.46
MAPK1 P28482 2/20 0.46
KDR P35968 2/20 0.46
MAPK8 P45983 2/20 0.46
MAPK9 P45984 2/20 0.46
GSK3B P49841 2/20 0.46
JAK3 P52333 2/20 0.46
MAPKAPK5 Q8IW41 2/20 0.46
KIT P10721 1/20 0.46
SYK P43405 1/20 0.46
EPHB4 P54760 1/20 0.46
PDK1 Q15118 1/20 0.46
MAPT P10636 4/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
CDC7 O00311 3/20 0.41

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
SCHEMBL3609560 1.00 MAPKAPK2 (0.50) MAPKAPK2AURKAJAK2LCKMET
SCHEMBL3616384 0.91 MAPKAPK2 (0.50) MAPKAPK2AURKAJAK2LCKMET
SCHEMBL3616381 0.91 MAPKAPK2 (0.50) MAPKAPK2AURKAJAK2LCKMET
SCHEMBL3611785 0.90 MAPKAPK2 (0.48) MAPKAPK2AURKAJAK2LCKMET
SCHEMBL3611782 0.90 MAPKAPK2 (0.48) MAPKAPK2AURKAJAK2LCKMET
SCHEMBL3609550 0.88 MAPKAPK2 (0.47) MAPKAPK2AURKAJAK2LCKMET
SCHEMBL3609546 0.88 MAPKAPK2 (0.47) MAPKAPK2AURKAJAK2LCKMET
SCHEMBL3610390 0.86 MAPKAPK2 (0.46) MAPKAPK2AURKAJAK2LCKMET
SCHEMBL3622936 0.86 MAPKAPK2 (0.46) MAPKAPK2AURKAJAK2LCKMET
SCHEMBL3619354 0.86 MAPKAPK2 (0.46) MAPKAPK2AURKAJAK2LCKMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US claimed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP claimed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO claimed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 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 (1 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 MAPKAPK2 4395/4885AURKA 1297/4885JAK2 1090/4885

“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.