SCHEMBL864008

SCHEMBL864008

COCCNc1nc2c(Cl)cccc2cc1C(C)Nc1nc(S(C)(=O)=O)nc2ccnn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PIK3CD O00329 3/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
HTR6 P50406 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
KCNN3 Q9UGI6 1/20 0.31
CCR4 P51679 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL864007 1.00 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1PIK3CDCCNB2
SCHEMBL864027 0.86 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1PIK3CDTSHR
SCHEMBL864026 0.86 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1PIK3CDTSHR
SCHEMBL863343 0.85 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1PIK3CDTSHR
SCHEMBL863344 0.85 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1PIK3CDTSHR
SCHEMBL2115350 0.75 SOS1 (0.33)
SCHEMBL2115348 0.75 SOS1 (0.33)
SCHEMBL865348 0.72 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1PIK3CDCDK5
SCHEMBL863594 0.72 KCNN3 (0.38) KDM4EPIK3CDCDK1CCNB1KCNN3
SCHEMBL863593 0.72 KCNN3 (0.38) KDM4EPIK3CDCDK1CCNB1KCNN3

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-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 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-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA KDM4E 2074/4885SMN1; SMN2 2993/4885ALDH1A1 3850/4885

“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.