SCHEMBL4164391

SCHEMBL4164391

COC(=O)c1ccnc2[nH]c(C3CC3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.44
▸ PBK Q96KB5 8/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ RIPK1 Q13546 1/20 0.41
▸ PDK2 Q15119 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ NPY5R Q15761 2/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PSMD14 O00487 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKN1 Q16512 1/20 0.39
▸ PKN2 Q16513 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.39
▸ ATR Q13535 1/20 0.37

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
SCHEMBL4149204 0.85 KDM5B (0.48) PARP1PBK
SCHEMBL8231782 0.80 PBK (0.61) PARP1PBKHTR2CPDK2PDK4
SCHEMBL13495268 0.77 PBK (0.62) PARP1PBKPDK2PDK4NPY5R
SCHEMBL2318486 0.76 PDE4A (0.65) PARP1PBKHTR2CPDK2PDK4
SCHEMBL1917418 0.75 BRD4 (0.44) PARP1PBKPDK2PDK4KDM4E
SCHEMBL12963909 0.74 ADORA1 (0.38) PARP1PBKHTR2CPDK2PDK4
SCHEMBL1553709 0.74 PDE4A (0.56) PARP1PBKHTR2CPDK2PDK4
SCHEMBL15808833 0.74 PARP1 (0.51) PARP1HTR2CRIPK1PDK2PDK4
SCHEMBL16225311 0.74 PARP1 (0.48) PARP1HTR2CRIPK1PDK2PDK4
SCHEMBL4145561 0.73 PKN1 (0.56) PARP1PSMD14KDM4EALDH1A1PKN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 — — US disclosed
EP-1984370-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Crystalgenomics, Inc. (KR) 2008-10-29 — — EP disclosed
WO-2007083978-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CRYSTALGENOMICS, INC. (KR) 2007-07-26 — — 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-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same GSK3B, GSK3A, MAP3K3 PARP1 1827/4885PBK 999/4885HTR2C 3855/4885

“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.

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