SCHEMBL3922291

SCHEMBL3922291

CNc1ncccc1-c1cc(C2CCC[N]2)on1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.35
ALOX5AP P20292 1/20 0.34
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
BPTF Q12830 1/20 0.31
RET P07949 1/20 0.31

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
SCHEMBL4914587 0.92 SMYD3 (0.37) SMYD3ALOX5APHCRTR1HCRTR2BPTF
SCHEMBL3927571 0.84 HCRTR1 (0.35) ALOX5APHCRTR1HCRTR2RET
SCHEMBL3929469 0.84 HCRTR1 (0.32) ALOX5APHCRTR1HCRTR2RET
SCHEMBL3858720 0.81 HCRTR1 (0.47) ALOX5APHCRTR1HCRTR2
SCHEMBL3919791 0.79 BACE1 (0.32) HCRTR1HCRTR2RET
SCHEMBL3930356 0.78 CHRNB2 (0.47)
SCHEMBL3930353 0.78 CHRNB2 (0.47)
SCHEMBL3851051 0.77 NPC1 (0.31)
SCHEMBL3853970 0.76 NPC1 (0.40)
SCHEMBL4917420 0.75 HCRTR1 (0.35) HCRTR1HCRTR2RET

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
EP-1869032-B8 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-03-25 EP disclosed
EP-1869032-B1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2008-08-13 EP disclosed
US-20080167297-A1 Pyrimidine Derivatives for Use as Anticancer Agents ASTRAZENECA AB (SE) 2008-07-10 US disclosed
EP-1869032-A1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006106307-A1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-10-12 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-20080167297-A1 Pyrimidine Derivatives for Use as Anticancer Agents IGF1R, TYMP, IGFBP1 SMYD3 4267/4885ALOX5AP 4409/4885HCRTR1 4170/4885

“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.