SCHEMBL4206170

SCHEMBL4206170

O=C(CCN1CCNCC1)N1CC[CH]CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HTR7 P34969 8/20 0.43
HTR1A P08908 6/20 0.43
GAA P10253 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4501958 0.90 ITGB3 (0.41) KDM1AITGB3ITGA2BHTR7HTR1A
SCHEMBL11489916 0.87 KDM1A (0.48) KDM1AITGB3ITGA2BHTR7HTR1A
SCHEMBL8186175 0.84 ITGB3 (0.52) KDM1AITGB3ITGA2BHTR7HTR1A
SCHEMBL4000787 0.84 ITGB3 (0.52) KDM1AITGB3ITGA2BHTR7HTR1A
SCHEMBL20262772 0.82 ALDH1A1 (0.52) HTR7HTR1AGAAALDH1A1POLB
SCHEMBL8185716 0.81 PHGDH (0.47) KDM1AITGB3ITGA2BHTR7HTR1A
SCHEMBL14084962 0.80 MAPT (0.48) KDM1AITGB3ITGA2BHTR7HTR1A
SCHEMBL8484368 0.79 ALDH1A1 (0.40) KDM1AITGB3ITGA2BHTR7HTR1A
SCHEMBL3459566 0.79 GLA (0.49) KDM1AITGB3ITGA2BHTR7HTR1A
SCHEMBL8191172 0.77 PHGDH (0.47) KDM1AITGB3ITGA2BHTR7HTR1A

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 KDM1A 2627/4885ITGB3 4521/4885ITGA2B 3592/4885

“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.