SCHEMBL6856196

SCHEMBL6856196

CCN1CCCC1CN(c1ccc(Br)cc1)c1nc(N)nc(NC2CCCCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
HRH4 Q9H3N8 3/20 0.33
DRD2 P14416 1/20 0.33
PIM1 P11309 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND2 P30279 1/20 0.32
CCND3 P30281 1/20 0.32

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
SCHEMBL6861363 0.84 SMN1; SMN2 (0.42) KDM4EALDH1A1HSD17B10TP53CYP3A4
SCHEMBL6016946 0.83 SMN1; SMN2 (0.44) KDM4EALDH1A1HSD17B10TP53CYP3A4
SCHEMBL5553557 0.81 SMN1; SMN2 (0.37) KDM4EALDH1A1HSD17B10TP53CYP3A4
SCHEMBL6231918 0.75 DRD2 (0.39) TSHRDRD2
SCHEMBL6238830 0.75 SMN1; SMN2 (0.43) ALDH1A1TSHRSMN1; SMN2DRD2
SCHEMBL5036468 0.74 TSHR (0.36) KDM4EALDH1A1HSD17B10TP53CYP3A4
SCHEMBL6235105 0.73 SMN1; SMN2 (0.34) TSHRSMN1; SMN2DRD2
SCHEMBL5554556 0.73 PIM1 (0.42) KDM4EALDH1A1HSD17B10TP53CYP3A4
SCHEMBL6607362 0.72 GALR1 (0.39) TSHRDRD2
SCHEMBL6235512 0.71 SMN1; SMN2 (0.42) KDM4EALDH1A1HSD17B10TP53CYP3A4

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 KDM4E 3314/4885ALDH1A1 4407/4885HSD17B10 1873/4885

“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.