SCHEMBL6430855

SCHEMBL6430855

CCN1CCCC1CNc1nc(N)nc(N(CC2CCCCC2)c2cc(F)c(OC)c(F)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.39
ABCG2 Q9UNQ0 1/20 0.36
PIM1 P11309 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
SCHEMBL6864393 0.90 DRD2 (0.41) DRD2
SCHEMBL6607362 0.83 GALR1 (0.39) DRD2
SCHEMBL5553539 0.83 DRD2 (0.39) DRD2PIM1
SCHEMBL6430113 0.83 VNN1 (0.33) DRD2
SCHEMBL5554025 0.83 GALR1 (0.38) DRD2
SCHEMBL5553593 0.80 DRD2 (0.38) DRD2
SCHEMBL6427953 0.80 KDM4E (0.33) DRD2
SCHEMBL5428655 0.79 GALR1 (0.33) DRD2
SCHEMBL6231594 0.79 KDM4E (0.35) DRD2
SCHEMBL6429771 0.79 MCHR1 (0.33) DRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 US 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-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 DRD2 4763/4885ABCG2 4462/4885PIM1 1969/4885

“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.