SCHEMBL864027

SCHEMBL864027

COCCNc1nc2c(Cl)cccc2cc1C(C)Nc1nc(SC)nc2ccnn12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PIK3CD O00329 4/20 0.33
TSHR P16473 1/20 0.32
KCNN3 Q9UGI6 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
HTT P42858 2/20 0.30
CRHR1 P34998 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL864026 1.00 KDM4E (0.43) KDM4ESMN1; SMN2ALDH1A1PIK3CDTSHR
SCHEMBL863344 0.86 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1PIK3CDTSHR
SCHEMBL863343 0.86 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1PIK3CDTSHR
SCHEMBL864008 0.86 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1PIK3CDTSHR
SCHEMBL864007 0.86 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1PIK3CDTSHR
SCHEMBL12769215 0.74 ALDH1A1 (0.36) KDM4ESMN1; SMN2ALDH1A1KCNN3CYP1A2
SCHEMBL2112939 0.73 SOS1 (0.33) PIK3CDKCNN3
SCHEMBL2112940 0.73 SOS1 (0.33) PIK3CDKCNN3
SCHEMBL863593 0.73 KCNN3 (0.38) KDM4EPIK3CDKCNN3
SCHEMBL863594 0.73 KCNN3 (0.38) KDM4EPIK3CDKCNN3

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.