SCHEMBL5549907

SCHEMBL5549907

CCN1CCCC1CNc1nc(Nc2cccc(OCF)c2)nc(NC2CCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.42
GALR2 O43603 3/20 0.42
GALR1 P47211 3/20 0.42
IDH2 P48735 1/20 0.41
CTSL P07711 3/20 0.40
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
CTSB P07858 2/20 0.40
CTSV O60911 1/20 0.39
PLAT P00750 1/20 0.39
CTSH P09668 1/20 0.39
CASP14 P31944 1/20 0.39
CASP6 P55212 1/20 0.39
CTSZ Q9UBR2 1/20 0.39
CDK1 P06493 2/20 0.39
GBA1 P04062 1/20 0.38
APP P05067 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
SCHEMBL4832751 0.90 GALR2 (0.54) GALR2GALR1CTSLCTSSCTSK
SCHEMBL4841107 0.86 CTSL (0.46) VNN1IDH2CTSLCTSSCTSK
SCHEMBL6016938 0.86 GBA1 (0.42) VNN1GBA1
SCHEMBL4829443 0.85 CTSS (0.46) VNN1IDH2CTSLCTSSCTSK
SCHEMBL14293847 0.84 DRD2 (0.38) VNN1CTSLCTSSCTSK
SCHEMBL4835437 0.84 CTSL (0.41) VNN1IDH2CTSLCTSSCTSK
SCHEMBL4832562 0.84 CTSV (0.55) IDH2CTSLCTSSCTSKCTSV
SCHEMBL14268895 0.83 ACHE (0.47) CTSSCTSK
SCHEMBL5554946 0.83 CCNA2 (0.39) VNN1GALR1CDK1GBA1
SCHEMBL4838919 0.83 PIM1 (0.46) VNN1CTSLCTSSCTSK

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-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US disclosed
US-20050113341-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-26 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-20050113341-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 VNN1 2533/4885GALR2 712/4885GALR1 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.