SCHEMBL3619458

SCHEMBL3619458

NC(=O)c1cc(-c2ccnc(-c3cccc(C(=O)NC4CCCC4)c3)c2)[nH]c1N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.52
DYRK1B Q9Y463 1/20 0.52
PRKD1 Q15139 9/20 0.49
PRKD2 Q9BZL6 9/20 0.49
ADRB1 P08588 1/20 0.49
MAP4K4 O95819 1/20 0.41
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
PRKD3 O94806 1/20 0.41
SCN9A Q15858 1/20 0.41
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
MLLT3 P42568 1/20 0.40
MLLT1 Q03111 1/20 0.40

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
SCHEMBL3997012 0.93 MAPKAPK2 (0.52) MAPKAPK2DYRK1BPRKD1PRKD2ADRB1
SCHEMBL3616693 0.92 MAPKAPK2 (0.62) MAPKAPK2DYRK1BPRKD1PRKD2ADRB1
SCHEMBL3618872 0.84 CYP46A1 (0.43) MAPKAPK2DYRK1BPRKD1PRKD2ADRB1
SCHEMBL3615592 0.83 PRKD1 (0.46) MAPKAPK2PRKD1PRKD2TGFBR1PRKD3
SCHEMBL13408136 0.80 MAPKAPK2 (0.57) MAPKAPK2DYRK1BPRKD1PRKD2ADRB1
SCHEMBL21132341 0.80 PRKD1 (0.52) PRKD1PRKD2ADRB1BMPR1BBMPR1A
SCHEMBL3612276 0.79 MAP4K4 (0.49) MAPKAPK2DYRK1BPRKD1PRKD2ADRB1
SCHEMBL3619274 0.79 ACVR1 (0.43) MAPKAPK2PRKD1PRKD2ACVR1PRKD3
SCHEMBL3612278 0.77 MAPKAPK2 (0.53) MAPKAPK2PRKD1PRKD2MAP4K4PRKD3
SCHEMBL14283179 0.77 CHEK1 (0.45) MAPKAPK2PRKD1PRKD2MAP4K4SCN9A

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.