Sugi Predict

Sugi Predict / Compounds / SCHEMBL3989909

SCHEMBL3989909

SCHEMBL3989909

CC(C)(C)OC(=O)N1CCC(CNc2cc(Cl)ncc2[N+](=O)[O-])CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.46
▸ TDO2 P48775 1/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ GPR119 Q8TDV5 5/20 0.44
▸ BCDIN3D Q7Z5W3 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ TGFBR1 P36897 4/20 0.40
▸ MET P08581 1/20 0.40
▸ STS P08842 2/20 0.39
▸ FAAH O00519 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
SCHEMBL29492699 1.00 IDO1 (0.46) IDO1TDO2BRD4KDM4EPKM
SCHEMBL620258 0.89 IDO1 (0.50) IDO1TDO2BRD4KDM4EPKM
SCHEMBL572380 0.85 CNR1 (0.48) BRD4GPR119METSTS
SCHEMBL618221 0.84 IDO1 (0.49) IDO1TDO2BRD4KDM4EPKM
SCHEMBL29492796 0.84 IDO1 (0.49) IDO1TDO2BRD4KDM4EPKM
SCHEMBL30578496 0.84 IDO1 (0.49) IDO1TDO2BRD4KDM4EPKM
SCHEMBL23301755 0.83 IDO1 (0.48) IDO1TDO2BRD4KDM4EPKM
SCHEMBL12279911 0.83 KDM4E (0.49) IDO1TDO2BRD4KDM4EPKM
SCHEMBL29802912 0.83 BCDIN3D (0.48) KDM4EPKMGPR119BCDIN3DSYK
SCHEMBL4697043 0.83 BCDIN3D (0.48) KDM4EPKMGPR119BCDIN3DSYK

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-16 — — US disclosed
EP-1866286-B1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-27 — — EP disclosed
EP-1866286-B1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-27 — — EP disclosed
US-7468382-B2 Pyridine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-23 — — US disclosed
US-7468382-B2 Pyridine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-23 — — US disclosed
EP-1866286-A1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-12-19 — — EP disclosed
WO-2006105023-A1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 — — WO disclosed
US-20060217417-A1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-09-28 — — US 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 (2 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-20060217417-A1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCQ, PRKCH, PRKCZ IDO1 2500/4885TDO2 3356/4885BRD4 2311/4885
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER DCK, DTYMK, TYMP IDO1 2623/4885TDO2 2484/4885BRD4 580/4885

“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.