SCHEMBL5554841

SCHEMBL5554841

CCN1CCCC1CNc1nc(NCC2CCCCC2)nc(Nc2ccc(C(=O)O)c(Cl)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.43
MAP3K8 P41279 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
VNN1 O95497 1/20 0.41
SOS1 Q07889 1/20 0.40
DRD2 P14416 3/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ASPH Q12797 2/20 0.38
KDM8 Q8N371 2/20 0.38
RIOX2 Q8IUF8 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL5550514 0.90 VNN1 (0.42) KDM4CMAP3K8RAB9ASMN1; SMN2VNN1
SCHEMBL4838562 0.88 MAP3K8 (0.43) MAP3K8VNN1SOS1DRD2
SCHEMBL5550467 0.88 MAP3K8 (0.44) MAP3K8SOS1KMT2AALDH1A1KDM4E
SCHEMBL4838242 0.86 MAP3K8 (0.43) MAP3K8VNN1SOS1ALDH1A1KDM4E
SCHEMBL4832813 0.86 DRD2 (0.50) DRD2KMT2AMEN1CYP1A2CYP2D6
SCHEMBL4836867 0.85 GALR1 (0.46) MAP3K8RAB9ADRD2KMT2AGAA
SCHEMBL5031230 0.84 DRD2 (0.41) MAP3K8VNN1DRD2KMT2AALDH1A1
SCHEMBL14268432 0.84 MAP3K8 (0.43) MAP3K8DRD2KMT2AALDH1A1KDM4E
SCHEMBL5035746 0.83 MAP3K8 (0.41) MAP3K8SOS1DRD2KMT2AALDH1A1
SCHEMBL14294121 0.83 MAP3K8 (0.43) MAP3K8VNN1SOS1DRD2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US claimed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 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-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 KDM4C 2275/4885MAP3K8 1139/4885RAB9A 4800/4885

“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.