SCHEMBL6863418

SCHEMBL6863418

CCN1CCCC1CN(c1ccc(OC)c(F)c1)c1nc(N)nc(NCCCn2ccnc2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.41
QPCT Q16769 11/20 0.39
TLR9 Q9NR96 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
QPCTL Q9NXS2 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL6428071 0.84 DRD2 (0.35) SMN1; SMN2POLB
SCHEMBL5553593 0.83 DRD2 (0.38)
SCHEMBL5554025 0.83 GALR1 (0.38)
SCHEMBL5412204 0.82 KDM4E (0.40) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6607362 0.82 GALR1 (0.39)
SCHEMBL5555726 0.82 DRD2 (0.34) KDM4EALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL6016946 0.81 SMN1; SMN2 (0.44) KDM4EALDH1A1SMN1; SMN2
SCHEMBL5553494 0.80 DRD2 (0.36)
SCHEMBL5553510 0.80 DRD2 (0.36)
SCHEMBL6428048 0.80 DRD2 (0.34)

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-20040077648-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2004-04-22 US claimed

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-20040077648-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS CYP19A1 4658/4885QPCT 2110/4885TLR9 1441/4885

“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.