SCHEMBL3620099

SCHEMBL3620099

CC(=O)Nc1ccc(-c2cc(-c3cc(C(N)=O)c(N4CCNCC4)[nH]3)ccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
MAPKAPK2 P49137 3/20 0.43
CCNC P24863 2/20 0.42
CDK8 P49336 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
PRNP P04156 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
PRKD1 Q15139 4/20 0.41
PRKD2 Q9BZL6 4/20 0.41
PRKD3 O94806 1/20 0.41
JAK2 O60674 4/20 0.40
XDH P47989 1/20 0.40
LRRK2 Q5S007 1/20 0.39
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
ACVR1B P36896 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
SCHEMBL3606296 0.86 PIM1 (0.44) IKBKBCHUKMAPKAPK2CCNCCDK8
SCHEMBL3612278 0.86 MAPKAPK2 (0.53) MAPKAPK2PRKD1PRKD2PRKD3
SCHEMBL3612276 0.86 MAP4K4 (0.49) IKBKBCHUKMAPKAPK2CCNCCDK8
SCHEMBL13408143 0.86 CCNC (0.41) MAPKAPK2CCNCCDK8MEN1GAA
SCHEMBL3614895 0.83 IKBKB (0.41) IKBKBCHUKMAPKAPK2PRKD1PRKD2
SCHEMBL3619357 0.81 CCNC (0.48) MAPKAPK2CCNCCDK8PRKD1PRKD2
SCHEMBL14283327 0.80 GABRD (0.43) CCNCCDK8PRKD1PRKD2LRRK2
SCHEMBL3609047 0.80 PRKD1 (0.50) PRKD1PRKD2PRKD3JAK2
SCHEMBL3615994 0.79 ACVR1B (0.49) PRKD1PRKD2PRKD3ACVR1B
SCHEMBL3616693 0.79 MAPKAPK2 (0.62) MAPKAPK2CCNCCDK8PRKD1PRKD2

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 IKBKB 1761/4885CHUK 1366/4885MAPKAPK2 4395/4885

“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.