SCHEMBL4175602

SCHEMBL4175602

CSc1nccc(-c2c[nH]cn2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.45
CDK2 P24941 2/20 0.45
CDK5 Q00535 2/20 0.45
CDK5R1 Q15078 2/20 0.45
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
CCNA1 P78396 1/20 0.45
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38
DYRK3 O43781 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
MAPK14 Q16539 4/20 0.38
CSNK1D P48730 2/20 0.38
JAK3 P52333 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
SCHEMBL22959928 0.75
SCHEMBL4493382 0.75 CCNA2 (0.44) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL30644405 0.72 LMNA (0.44) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL3577722 0.71 CCR1 (0.59) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL5361682 0.71 KDM4E (0.55) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL18210579 0.71 LMNA (0.46) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL13851786 0.71 LMNA (0.47) CCNA2CDK2CDK5CDK5R1CCNT1
SCHEMBL30734434 0.70 RXFP1 (0.33) POLBMEN1KMT2AMAPTHTT
SCHEMBL30734432 0.70 RXFP1 (0.33) POLBMEN1KMT2AMAPTHTT
SCHEMBL15232070 0.70 CCNA2 (0.46) CCNA2CDK2CDK5CDK5R1CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090130225-A1 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
US-20090130225-A1 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
US-20090130225-A1 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
EP-1960413-A2 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-08-27 EP disclosed
WO-2007060618-A2 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2007-05-31 WO disclosed
WO-2007060618-A2 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2007-05-31 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-20090130225-A1 MACROLIDES DERIVATIVES AS ANTIBACTERIAL AGENTS MGAM, MLX, MYCBP CCNA2 2356/4885CDK2 1989/4885CDK5 2075/4885

“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.