Sugi Predict

Sugi Predict / Compounds / SCHEMBL3621763

SCHEMBL3621763

SCHEMBL3621763

NC(=O)c1cc(-c2ccnc(-c3cnc(N4CCCC4)nc3)c2)[nH]c1N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKD1 Q15139 6/20 0.46
▸ PRKD2 Q9BZL6 6/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CDC7 O00311 5/20 0.39
▸ MAPKAPK2 P49137 2/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ROCK2 O75116 2/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL3614067 0.99 PRKD1 (0.48) PRKD1PRKD2PRKD3MAPTALDH1A1
SCHEMBL3614743 0.91 TNKS (0.42) PRKD1PRKD2PRKD3MAPTCDC7
SCHEMBL3609047 0.89 PRKD1 (0.50) PRKD1PRKD2PRKD3MAPTALDH1A1
SCHEMBL3613032 0.88 PRKD1 (0.52) PRKD1PRKD2PRKD3MAPTALDH1A1
SCHEMBL14282926 0.86 MAPT (0.39) PRKD1PRKD2PRKD3MAPTALDH1A1
SCHEMBL3612276 0.83 MAP4K4 (0.49) PRKD1PRKD2PRKD3CDC7MAPKAPK2
SCHEMBL3612278 0.83 MAPKAPK2 (0.53) PRKD1PRKD2PRKD3CDC7MAPKAPK2
SCHEMBL3619357 0.82 CCNC (0.48) PRKD1PRKD2PRKD3ALDH1A1MAPKAPK2
SCHEMBL13408196 0.82 PIM1 (0.43) PRKD1PRKD2MAPTCDC7MAPKAPK2
SCHEMBL3619416 0.82 MAPKAPK2 (0.56) 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 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.