SCHEMBL4394520

SCHEMBL4394520

N#CC(C#N)=C1NCCN1CCCO

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4383229 0.90 HRH3 (0.39) HRH3
SCHEMBL4387644 0.90 HRH3 (0.34) HRH3ALDH1A1
SCHEMBL7656144 0.81 HRH3 (0.33) HRH3ALDH1A1
SCHEMBL4388569 0.78 MEN1 (0.35) MEN1KMT2A
SCHEMBL4382877 0.72 KMT2A (0.40) MEN1KMT2AALDH1A1
SCHEMBL4382878 0.72 KMT2A (0.40) MEN1KMT2AALDH1A1
SCHEMBL4543147 0.72 MEN1 (0.33) MEN1KMT2A
SCHEMBL4543149 0.72 MEN1 (0.33) MEN1KMT2A
SCHEMBL1446118 0.71 KMT2A (0.42) MEN1KMT2AALDH1A1
SCHEMBL27344018 0.67 MEN1 (0.37) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed
WO-2002085861-A1 IMIDAZOLIDINE COMPOUNDS AND THEIR USE AS CXCR3 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-31 WO disclosed
US-6469002-B1 COMPOUNDS WHICH MODULATE CHEMOKINE RECEPTOR ACTIVITY AND ARE USEFUL IN TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. 2002-10-22 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 (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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 HRH3 452/4885MEN1 3396/4885KMT2A 441/4885

“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.