SCHEMBL3612276

SCHEMBL3612276

NC(=O)c1ccc(-c2cc(-c3cc(C(N)=O)c(N4CCNCC4)[nH]3)ccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.49
MAPKAPK2 P49137 7/20 0.47
PRKD1 Q15139 7/20 0.47
PRKD2 Q9BZL6 7/20 0.47
PRKD3 O94806 1/20 0.47
ACVR1 Q04771 1/20 0.43
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
ADRB1 P08588 1/20 0.42
CDC7 O00311 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
DYRK1B Q9Y463 1/20 0.41

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
SCHEMBL3612278 0.91 MAPKAPK2 (0.53) MAP4K4MAPKAPK2PRKD1PRKD2PRKD3
SCHEMBL3619357 0.90 CCNC (0.48) MAPKAPK2PRKD1PRKD2PRKD3CCNC
SCHEMBL3614895 0.87 IKBKB (0.41) MAPKAPK2PRKD1PRKD2PRKD3IKBKB
SCHEMBL3616693 0.86 MAPKAPK2 (0.62) MAPKAPK2PRKD1PRKD2PRKD3ADRB1
SCHEMBL3620099 0.86 IKBKB (0.44) MAPKAPK2PRKD1PRKD2PRKD3ACVR1
SCHEMBL3611086 0.85 MAPKAPK2 (0.45) MAPKAPK2PRKD1PRKD2PRKD3CCNC
SCHEMBL3609047 0.85 PRKD1 (0.50) MAP4K4PRKD1PRKD2PRKD3ADRB1
SCHEMBL3613032 0.84 PRKD1 (0.52) MAP4K4PRKD1PRKD2PRKD3ADRB1
SCHEMBL3621763 0.83 PRKD1 (0.46) MAP4K4MAPKAPK2PRKD1PRKD2PRKD3
SCHEMBL3615592 0.83 PRKD1 (0.46) MAPKAPK2PRKD1PRKD2PRKD3CDC7

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 6 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
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

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 MAP4K4 3364/4885MAPKAPK2 4395/4885PRKD1 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.