SCHEMBL6428019

SCHEMBL6428019

CCC(Nc1nc(NCC2CCCCC2)nc(Nc2cccc(OCF)c2)n1)C1CCNC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.40
CCNA2 P20248 4/20 0.39
CDK2 P24941 4/20 0.39
CCNA1 P78396 4/20 0.39
CCNB2 O95067 3/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 3/20 0.39
CCNB3 Q8WWL7 3/20 0.39
KCNH3 Q9ULD8 2/20 0.37
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
GALR1 P47211 1/20 0.36
IDH2 P48735 2/20 0.35
PIM1 P11309 1/20 0.35
SYK P43405 1/20 0.35
PRKCQ Q04759 1/20 0.34
IDH1 O75874 1/20 0.34

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
SCHEMBL5032370 0.81 GALR1 (0.55) CDK2CDK1CCNB1GALR1
SCHEMBL6428015 0.76 PRKCQ (0.42) CCNA2CDK2CCNA1CCNB2CDK1
SCHEMBL5554946 0.73 CCNA2 (0.39) FLT3CCNA2CDK2CCNA1CCNB2
SCHEMBL5549956 0.72 EGFR (0.42) CCNA2CDK2CCNA1CCNB2CDK1
SCHEMBL5555610 0.70 GBA1 (0.43) CCNA2CDK2CCNA1CCNB2CDK1
SCHEMBL5555616 0.70 GBA1 (0.44) CCNA2CDK2CCNA1CCNB2CDK1
SCHEMBL5036226 0.69 GALR1 (0.46) GALR1
SCHEMBL5032204 0.68 GALR1 (0.41) KCNH3GALR1IDH1
SCHEMBL4837841 0.68 GALR1 (0.55) CDK2CDK1CCNB1GALR1
SCHEMBL6013860 0.68 GALR1 (0.55) CDK2CDK1CCNB1GALR1

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 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 FLT3 765/4885CCNA2 2119/4885CDK2 1267/4885

“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.