SCHEMBL6429669

SCHEMBL6429669

CCC(C1CCCN1)N(CC1CCCCC1)c1nc(N)nc(Oc2ccc(OC)c(F)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GALR1 P47211 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
MAPK1 P28482 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
SCHEMBL5550424 0.95 MEN1 (0.32) MEN1KMT2ASLC6A2SLC6A4
SCHEMBL6233350 0.88
SCHEMBL5549892 0.82 GALR1 (0.44) GALR1CCNB2CDK1CCNB1CCNA2
SCHEMBL6612957 0.80 HTR2A (0.38) MEN1KMT2AGALR1HTR2AHTR2C
SCHEMBL6818937 0.77 MAPK1 (0.37) MEN1KMT2AGALR1SLC6A2SLC6A4
SCHEMBL6429666 0.75 PIK3CD (0.34) GALR1
SCHEMBL6268764 0.74 GALR1 (0.40) GALR1CCNB2CDK1CCNB1CCNA2
SCHEMBL5550964 0.73 MEN1 (0.39) MEN1KMT2AGALR1SLC6A2SLC6A4
SCHEMBL6607370 0.73 GALR1 (0.39) MEN1KMT2AGALR1HTR2AHTR2C
SCHEMBL5554034 0.72 GALR1 (0.38) MEN1KMT2AGALR1HTR2AHTR2C

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 MEN1 4510/4885KMT2A 3506/4885GALR1 1159/4885

“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.