SCHEMBL4203196

SCHEMBL4203196

O=C(CC1CCNCC1)N1C[CH]CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
SMYD3 Q9H7B4 9/20 0.41
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
NAMPT P43490 1/20 0.36
SLC6A1 P30531 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRB2 P47870 2/20 0.36
SLC6A12 P48065 2/20 0.36
SLC6A11 P48066 2/20 0.36
SLC6A13 Q9NSD5 2/20 0.36

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
SCHEMBL4191524 0.90 SMYD3 (0.45) KDM1ASMYD3ITGB3ITGA2BTPSAB1
SCHEMBL4195847 0.84 ITGB3 (0.49) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL4206568 0.82 KDM1A (0.46) KDM1ATPSAB1TPSD1TPSG1SLC6A1
SCHEMBL4202084 0.82 KDM1A (0.46) KDM1ATPSAB1TPSD1TPSG1SLC6A1
SCHEMBL11496439 0.79 DDB1 (0.51) KDM1ASMYD3ITGB3ITGA2BTPSAB1
SCHEMBL13812236 0.78 ITGB3 (0.46) KDM1ASMYD3ITGB3ITGA2BTPSAB1
SCHEMBL30364152 0.76 CA2 (0.47) KDM1ASMYD3ITGB3ITGA2BTPSAB1
SCHEMBL28762499 0.75 CHRNB2 (0.53) KDM1ASMYD3ITGB3ITGA2BGABRA5
SCHEMBL4649927 0.75 ITGB3 (0.48) KDM1ASMYD3ITGB3ITGA2BTPSAB1
SCHEMBL4195892 0.74 ITGB3 (0.55) ITGB3ITGA2BTPSAB1TPSD1TPSG1

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 3 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
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 2627/4885SMYD3 4052/4885ITGB3 4521/4885

“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.