SCHEMBL3609047

SCHEMBL3609047

NC(=O)c1cc(-c2ccnc(-c3ccc(N4CCCC4)nc3)c2)[nH]c1N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 7/20 0.50
PRKD2 Q9BZL6 6/20 0.50
PRKD3 O94806 2/20 0.50
TBK1 Q9UHD2 2/20 0.44
IKBKE Q14164 1/20 0.44
CNR2 P34972 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
ADRB1 P08588 1/20 0.41
ZAP70 P43403 2/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
JAK2 O60674 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
EGFR P00533 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
LCK P06239 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
SCHEMBL3613032 0.99 PRKD1 (0.52) PRKD1PRKD2PRKD3TBK1IKBKE
SCHEMBL3618309 0.92 JAK2 (0.49) PRKD1PRKD2PRKD3TBK1IKBKE
SCHEMBL3615994 0.92 ACVR1B (0.49) PRKD1PRKD2PRKD3TBK1IKBKE
SCHEMBL3612732 0.89 PRKD1 (0.43) PRKD1PRKD2PRKD3TBK1IKBKE
SCHEMBL3621763 0.89 PRKD1 (0.46) PRKD1PRKD2PRKD3ADRB1ALDH1A1
SCHEMBL3614067 0.88 PRKD1 (0.48) PRKD1PRKD2PRKD3ADRB1JAK2
SCHEMBL14283769 0.88 CNR2 (0.45) PRKD1PRKD2PRKD3TBK1IKBKE
SCHEMBL3618338 0.86 AURKA (0.55) PRKD1PRKD2TBK1IKBKEHDAC1
SCHEMBL3612278 0.85 MAPKAPK2 (0.53) PRKD1PRKD2PRKD3CDC7MAP4K4
SCHEMBL3612276 0.85 MAP4K4 (0.49) PRKD1PRKD2PRKD3ADRB1CDC7

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 PRKD1 3780/4885PRKD2 3907/4885PRKD3 3742/4885

“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.