SCHEMBL2730404

SCHEMBL2730404

Brc1cccc(-c2ncc3c(n2)CCCC3)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 8/20 0.42
CDK5R1 Q15078 8/20 0.42
CCNA2 P20248 6/20 0.40
CDK2 P24941 6/20 0.40
GRM5 P41594 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
MAOB P27338 1/20 0.40
HTR2C P28335 1/20 0.38
CCNT1 O60563 1/20 0.36
CCNE1 P24864 1/20 0.36
CCND3 P30281 1/20 0.36
FLT3 P36888 1/20 0.36
CDK9 P50750 1/20 0.36
CDK6 Q00534 1/20 0.36
TNKS2 Q9H2K2 1/20 0.35

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
SCHEMBL2728585 0.80 TNKS2 (0.33) HTR2CTNKS2
SCHEMBL2727630 0.78 HTR2C (0.34) HTR2CTNKS2
SCHEMBL2985558 0.77 CDK5 (0.43) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL4039246 0.75 CDK5 (0.42) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL2732310 0.74 HTR2C (0.42) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL10254995 0.74 CDK5 (0.42) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL10251571 0.73 CDK5 (0.41) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL15341621 0.72 HTR2C (0.44) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL10251673 0.72 CDK5 (0.39) CDK5CDK5R1CCNA2CDK2CDK1
SCHEMBL14732931 0.72 CDK5 (0.38) CDK5CDK5R1CCNA2CDK2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281467-A1 NOVEL MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-10-24 US disclosed
EP-2632913-A1 NOVEL MICROBICIDES Syngenta Participations AG (CH) 2013-09-04 EP disclosed
WO-2012056003-A1 NOVEL MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-03 WO 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-20130281467-A1 NOVEL MICROBICIDES CBR1, MSR1, CBR3 CDK5 2406/4885CDK5R1 1373/4885CCNA2 970/4885

“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.