SCHEMBL170057

SCHEMBL170057

Oc1cnc2c(ccc3cccnc32)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.62
CCR8 P51685 5/20 0.62
CCR5 P51681 3/20 0.62
KDM4E B2RXH2 4/20 0.61
HSP90AA1 P07900 3/20 0.61
LMNA P02545 3/20 0.61
MMP2 P08253 2/20 0.61
TSHR P16473 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 2/20 0.61
GMNN O75496 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MMP9 P14780 1/20 0.61
ALOX15 P16050 1/20 0.61
NFKB1 P19838 1/20 0.61
MMP8 P22894 1/20 0.61
THPO P40225 1/20 0.61
MTOR P42345 1/20 0.61

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
Phenanthroline SCHEMBL10380787 1.00 CCR1 (0.62) CCR1CCR8CCR5KDM4EHSP90AA1
SCHEMBL30570886 0.85 CCR1 (0.52) CCR1CCR8CCR5KDM4EHSP90AA1
SCHEMBL686920 0.85 CCR1 (0.52) CCR1CCR8CCR5KDM4EHSP90AA1
Bromide SCHEMBL5550525 0.83 CCR1 (0.50) CCR1CCR8CCR5KDM4EHSP90AA1
Phenanthroline SCHEMBL29635370 0.81 CCR1 (0.94) CCR1CCR8CCR5KDM4EHSP90AA1
Phenanthroline SCHEMBL27885493 0.81 CCR1 (0.94) CCR1CCR8CCR5KDM4EHSP90AA1
SCHEMBL276492 0.80 MEN1 (0.47) CCR1CCR8CCR5KDM4EHSP90AA1
SCHEMBL23954363 0.80 CCR1 (0.67) CCR1CCR8CCR5KDM4EHSP90AA1
Phenanthroline SCHEMBL8845760 0.78 CCR1 (1.00) CCR1CCR8CCR5KDM4EHSP90AA1
Phenanthroline SCHEMBL29354015 0.78 CCR1 (1.00) CCR1CCR8CCR5KDM4EHSP90AA1

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307514-A Organic electroluminescent compound and organic electroluminescent device comprising the same 罗门哈斯电子材料韩国有限公司 2024-07-09 CN disclosed
WO-2024010015-A1 PYRIMIDINE DERIVATIVES あすか製薬株式会社 2024-01-11 WO disclosed
CN-115554406-A anti-CD 20 combinations for the treatment of tumors 博笛生物科技有限公司 2023-01-03 CN disclosed
CN-115350279-A anti-HER 2 combinations for the treatment of tumors 博笛生物科技有限公司 2022-11-18 CN disclosed
CN-115337402-A Combination therapeutic compositions and combination therapeutic methods for treating cancer 博笛生物科技有限公司 2022-11-15 CN disclosed
CN-115252792-A anti-EGFR combinations for the treatment of tumors 博笛生物科技有限公司 2022-11-01 CN disclosed
CN-114716555-A Compounds and compositions for targeting EGFR expressing tumors 博笛生物科技有限公司 2022-07-08 CN disclosed
CN-114671954-A Compounds and compositions targeting HER2 positive tumors 博笛生物科技有限公司 2022-06-28 CN disclosed
CN-108137513-B Pyrimidine derivatives ASKA 制药株式会社 2022-03-01 CN disclosed
CN-107427517-B Medicine for preventing and/or treating dementia 国立大学法人鸟取大学 2021-11-16 CN disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
US-20040013905-A1 Electroluminescent device using metal coordination compound CANON KABUSHIKI KAISHA (JP) 2004-01-22 US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP disclosed
CN-1347460-A Monolayer and electrode for detecting label-bearing target and method of use thereof UNIV NORTH CAROLINA CHAPEL HILL (US) 2002-05-01 CN 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-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB CCR1 709/4885CCR8 1069/4885CCR5 591/4885

“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.