SCHEMBL4501958

SCHEMBL4501958

O=C(CCN1CCNCC1)N1C[CH]CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
KDM1A O60341 2/20 0.39
HTR7 P34969 4/20 0.38
HTR1A P08908 4/20 0.38
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CXCR4 P61073 1/20 0.33
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4206170 0.90 KDM1A (0.43) ITGB3ITGA2BKDM1AHTR7HTR1A
SCHEMBL11489916 0.81 KDM1A (0.48) ITGB3ITGA2BKDM1AHTR7HTR1A
SCHEMBL8186175 0.78 ITGB3 (0.52) ITGB3ITGA2BKDM1AHTR7HTR1A
SCHEMBL4000787 0.78 ITGB3 (0.52) ITGB3ITGA2BKDM1AHTR7HTR1A
SCHEMBL4195847 0.75 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL8185716 0.75 PHGDH (0.47) ITGB3ITGA2BKDM1AHTR7HTR1A
SCHEMBL14084962 0.74 MAPT (0.48) ITGB3ITGA2BKDM1AHTR7HTR1A
SCHEMBL3459566 0.73 GLA (0.49) ITGB3ITGA2BKDM1AHTR7HTR1A
SCHEMBL29008818 0.73 MEN1 (0.35) KDM4EALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL4195784 0.73 CHRM2 (0.44) HTR7HTR1AALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 US disclosed
CN-101500569-A HIF hydroxylase inhibitors for treatment of anemia of cancer FIBROGEN INC (US) 2009-08-05 CN disclosed
CN-101490041-A 2-heterocycloamino-4-imidazolylpyrimidines as agents for the inhibition of cell proliferation ASTRAZENECA AB (SE) 2009-07-22 CN disclosed
EP-2032559-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-11 EP disclosed
WO-2007138268-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION CCNI, MKI67, CDK2 ITGB3 4521/4885ITGA2B 3592/4885KDM1A 2627/4885

“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.