SCHEMBL1594953

SCHEMBL1594953

NNc1ncc2c(n1)CCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.58
CDK5R1 Q15078 9/20 0.58
CCNA2 P20248 6/20 0.55
CDK2 P24941 6/20 0.55
GRM5 P41594 2/20 0.55
CDK1 P06493 2/20 0.50
CCNB1 P14635 2/20 0.50
MAOB P27338 1/20 0.50
CCNT1 O60563 1/20 0.48
CCNE1 P24864 1/20 0.48
CCND3 P30281 1/20 0.48
FLT3 P36888 1/20 0.48
CDK9 P50750 1/20 0.48
CDK6 Q00534 1/20 0.48
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 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
SCHEMBL929846 0.98 CDK5 (0.57) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL16840460 0.77 CDK5 (0.55) CDK5CDK5R1CCNA2CDK2GRM5
Hydrochloric Acid SCHEMBL29243610 0.76 CDK5 (0.54) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL18211803 0.74 CDK5 (0.53) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL9959836 0.74 CDK5 (1.00) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL601423 0.74 NOS3 (0.47) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL4115818 0.72 NOS3 (0.45) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL929921 0.72 NOS3 (0.45) CDK5CDK5R1CCNA2CDK2GRM5
Ethylene SCHEMBL8636375 0.72 USP2 (0.48) CDK5CDK5R1CCNA2CDK2GRM5
SCHEMBL9959918 0.72 CDK5 (0.74) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP disclosed
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 US disclosed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP disclosed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 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-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 CDK5 2144/4885CDK5R1 2306/4885CCNA2 4055/4885

“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.