SCHEMBL3616693

SCHEMBL3616693

NC(=O)c1cc(-c2ccnc(-c3ccc(C(=O)NC4CCCC4)cc3)c2)[nH]c1N1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.62
DYRK1B Q9Y463 1/20 0.62
PRKD1 Q15139 5/20 0.48
PRKD2 Q9BZL6 5/20 0.48
ADRB1 P08588 1/20 0.47
RIPK1 Q13546 1/20 0.42
TGFBR1 P36897 1/20 0.41
MAPK14 Q16539 1/20 0.41
BTK Q06187 4/20 0.41
STK17A Q9UEE5 1/20 0.41
PRKD3 O94806 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 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
SCHEMBL3619458 0.92 MAPKAPK2 (0.52) MAPKAPK2DYRK1BPRKD1PRKD2ADRB1
SCHEMBL13408136 0.87 MAPKAPK2 (0.57) MAPKAPK2DYRK1BPRKD1PRKD2ADRB1
SCHEMBL3612276 0.86 MAP4K4 (0.49) MAPKAPK2DYRK1BPRKD1PRKD2ADRB1
SCHEMBL3997012 0.85 MAPKAPK2 (0.52) MAPKAPK2DYRK1BPRKD1PRKD2ADRB1
SCHEMBL3619357 0.83 CCNC (0.48) MAPKAPK2DYRK1BPRKD1PRKD2RIPK1
Trifluoroacetic Acid SCHEMBL3620145 0.82 MAPKAPK2 (0.52) MAPKAPK2DYRK1BPRKD1PRKD2ADRB1
SCHEMBL3612278 0.82 MAPKAPK2 (0.53) MAPKAPK2PRKD1PRKD2PRKD3
SCHEMBL3611086 0.82 MAPKAPK2 (0.45) MAPKAPK2DYRK1BPRKD1PRKD2PRKD3
SCHEMBL3620099 0.79 IKBKB (0.44) MAPKAPK2PRKD1PRKD2PRKD3CCNC
SCHEMBL3614895 0.78 IKBKB (0.41) MAPKAPK2PRKD1PRKD2PRKD3

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 9 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
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
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
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 4395/4885DYRK1B 4170/4885PRKD1 3780/4885

“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.