SCHEMBL13333395

SCHEMBL13333395

COc1cnc2cc(C)sc2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 6/20 0.33
PDGFRA P16234 6/20 0.33
KDM4E B2RXH2 1/20 0.33
PIK3CD O00329 1/20 0.33
PIP5K1C O60331 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
IKBKB O14920 1/20 0.31

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
SCHEMBL17339874 0.77 CCNB2 (0.34) RAB9ANPC1IKBKBCHUK
SCHEMBL31637623 0.74 BACE1 (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL16942514 0.74 ALDH1A1 (0.50) IKBKBCHUK
SCHEMBL22851748 0.74 BACE1 (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL16268335 0.73 USP2 (0.33) PIK3CARAB9ANPC1HTTNPSR1
SCHEMBL18965753 0.71 TDP1 (0.38) KDM4ERAB9ANPC1IKBKBCHUK
SCHEMBL8284898 0.70 KMT2A (0.40) KDM4EPIK3CDPIP5K1CPIK3CAPIK3CB
SCHEMBL17339845 0.69 ALDH1A1 (0.36) KDM4ERAB9ANPC1IKBKBCHUK
SCHEMBL2666809 0.68 PIK3CA (0.39) PIK3CDPIP5K1CPIK3CAPIK3CBPI4KA
SCHEMBL434282 0.66 PDK1 (0.31) IKBKBCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100119510-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-13 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-20100119510-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 PDGFRB 2356/4885PDGFRA 3190/4885KDM4E 3113/4885

“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.