SCHEMBL3924567

SCHEMBL3924567

[O-][n+]1cccc(-c2cc(C3CCC[N]3)on2)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FAAH O00519 1/20 0.37
CES2 O00748 1/20 0.37
SLC6A3 Q01959 7/20 0.34
IL4I1 Q96RQ9 1/20 0.30

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
SCHEMBL4276140 0.77 CHRM5 (0.39) NPC1RAB9AFAAHCES2
SCHEMBL3853565 0.76 CYP2C9 (0.47) NPC1RAB9A
SCHEMBL3851051 0.71 NPC1 (0.31) NPC1RAB9A
SCHEMBL3853970 0.70 NPC1 (0.40) NPC1RAB9A
SCHEMBL3927571 0.69 HCRTR1 (0.35)
SCHEMBL3858424 0.69 KDM4A (0.30)
SCHEMBL3853982 0.67 RAB9A (0.42) NPC1RAB9A
SCHEMBL3924125 0.67 RET (0.32)
SCHEMBL3929469 0.67 HCRTR1 (0.32) NPC1RAB9A
SCHEMBL4919930 0.66 CYP2A6 (0.50) NPC1RAB9A

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 NPC1 2756/4885RAB9A 3435/4885FAAH 4771/4885

“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.