SCHEMBL3614743

SCHEMBL3614743

CN1CCN(c2ncc(-c3cc(-c4cc(C(N)=O)c(N5CCNCC5)[nH]4)ccn3)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.42
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.39
PRKD1 Q15139 5/20 0.38
PRKD2 Q9BZL6 5/20 0.38
PRKD3 O94806 1/20 0.38
CDC7 O00311 3/20 0.37
ACVR1B P36896 1/20 0.37
TGFBR1 P36897 1/20 0.37
KIT P10721 1/20 0.36
MAPKAPK2 P49137 2/20 0.36
JAK2 O60674 1/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL3621763 0.91 PRKD1 (0.46) KDM4EMAPTPRKD1PRKD2PRKD3
SCHEMBL3614067 0.90 PRKD1 (0.48) KDM4EMAPTPRKD1PRKD2PRKD3
SCHEMBL3615994 0.90 ACVR1B (0.49) TNKSPRKD1PRKD2PRKD3ACVR1B
SCHEMBL3614691 0.83 CDK9 (0.41) TNKSKDM4EMAPTPRKD1PRKD2
SCHEMBL3612278 0.81 MAPKAPK2 (0.53) PRKD1PRKD2PRKD3CDC7MAPKAPK2
SCHEMBL3612276 0.81 MAP4K4 (0.49) PRKD1PRKD2PRKD3CDC7MAPKAPK2
SCHEMBL3609047 0.81 PRKD1 (0.50) MAPTPRKD1PRKD2PRKD3CDC7
SCHEMBL3613032 0.80 PRKD1 (0.52) MAPTPRKD1PRKD2PRKD3CDC7
SCHEMBL3619416 0.79 MAPKAPK2 (0.56) PRKD1PRKD2PRKD3CDC7MAPKAPK2
SCHEMBL3614895 0.79 IKBKB (0.41) PRKD1PRKD2PRKD3CDC7MAPKAPK2

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 TNKS 3976/4885KDM4E 2363/4885GLA 338/4885

“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.