SCHEMBL2504572

SCHEMBL2504572

CCCCCN1CCCN1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
GNAO1 P09471 9/20 0.37
GNAI3 P08754 8/20 0.37
GNAI1 P63096 8/20 0.37
CXCR4 P61073 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
EBP Q15125 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SOD3 P08294 1/20 0.33

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
SCHEMBL27877149 0.98 ALOX5 (0.51) ALOX5GNAO1GNAI3GNAI1CXCR4
Methylamine SCHEMBL27943477 0.94 ALOX5 (0.49) ALOX5GNAO1GNAI3GNAI1CXCR4
SCHEMBL4551459 0.94 ALOX5 (0.47) ALOX5GNAO1GNAI3GNAI1MEN1
SCHEMBL1741781 0.93
Methylamine SCHEMBL27943479 0.89 ALOX5 (0.40) ALOX5GNAO1GNAI3GNAI1CXCR4
SCHEMBL27293688 0.87 ALOX5 (0.41) ALOX5GNAO1GNAI3GNAI1MEN1
SCHEMBL7022863 0.84
SCHEMBL9449545 0.78 CXCR4 (0.35) ALOX5CXCR4
SCHEMBL2009978 0.78 CXCR4 (0.35) ALOX5CXCR4SIGMAR1
SCHEMBL3313745 0.78 ALOX5 (0.49) ALOX5GNAO1GNAI3GNAI1CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964605-A Arylpyrazole pyridine derivative and preparation method and application thereof 北京工业大学 2024-05-03 CN claimed
EP-1731509-B1 PROCESS FOR PRODUCING NITROGENOUS 5-MEMBERED CYCLIC COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2011-10-19 EP claimed
US-7705161-B2 Process for producing nitrogenous 5-membered cyclic compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-27 US claimed
US-20070191614-A1 Process for producing nitrogenous 5-membered cyclic compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-08-16 US claimed
EP-1731509-A1 PROCESS FOR PRODUCING NITROGENOUS 5-MEMBERED CYCLIC COMPOUND Japan Science and Technology Agency (JP) 2006-12-13 EP claimed
CN-114539157-B Method for preparing 4-iodo-N-aryl pyrazole compound by iodine-promoted oxidation method 曲靖师范学院 2023-12-22 CN disclosed
CN-110891941-A Substituted 5- (hetero) arylpyrazolamides and their salts and their use as herbicidally active substances 拜耳作物科学股份公司 2020-03-17 CN disclosed
EP-1731509-B1 PROCESS FOR PRODUCING NITROGENOUS 5-MEMBERED CYCLIC COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2011-10-19 EP disclosed
US-7705161-B2 Process for producing nitrogenous 5-membered cyclic compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-27 US disclosed
US-20070191614-A1 Process for producing nitrogenous 5-membered cyclic compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-08-16 US disclosed
EP-1731509-A1 PROCESS FOR PRODUCING NITROGENOUS 5-MEMBERED CYCLIC COMPOUND Japan Science and Technology Agency (JP) 2006-12-13 EP disclosed
US-5108880-A Developing agent, sulfite preservative and amino alcohol SUN CHEMICAL CORPORATION (US) 1992-04-28 US disclosed
EP-0011693-A1 N-trifluoromethane-sulfonylaminophenyl-substituted N-heterocycles, their preparation, compositions containing them and their use in regulating plant growth CIBA-GEIGY AG (CH) 1980-06-11 EP 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-20070191614-A1 Process for producing nitrogenous 5-membered cyclic compound HRH4, HRH2, HRH1 ALOX5 1004/4885GNAO1 628/4885GNAI3 699/4885

“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.