SCHEMBL4195892

SCHEMBL4195892

O=C(CCC1CCNCC1)N1CC[CH]CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.55
ITGA2B P08514 13/20 0.55
GNAI3 P08754 1/20 0.52
GNAO1 P09471 1/20 0.52
GNAI1 P63096 1/20 0.52
TPSAB1 Q15661 1/20 0.52
TPSD1 Q9BZJ3 1/20 0.52
TPSG1 Q9NRR2 1/20 0.52
F2R P25116 9/20 0.49
TP53 P04637 1/20 0.46
HSD11B1 P28845 1/20 0.44

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
SCHEMBL4195847 0.91 ITGB3 (0.49) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL11489205 0.86 ITGB3 (0.60) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL14303380 0.85 ITGB3 (0.59) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL8278505 0.83 ITGB3 (0.61) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL4191524 0.83 SMYD3 (0.45) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL23978381 0.81 GNAI3 (0.59) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL3459102 0.81 ITGB3 (0.55) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL26067161 0.79 ITGB3 (0.54) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL4203196 0.74 KDM1A (0.41) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL10252946 0.74 TP53 (0.58) ITGB3ITGA2BGNAI3GNAO1GNAI1

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 3592/4885GNAI3 2027/4885

“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.