SCHEMBL249331

SCHEMBL249331

COc1ccc(N=C2NC(=O)C(=Cc3c[nH]c4ncccc34)S2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.51
MAPT P10636 4/20 0.51
CDC7 O00311 2/20 0.51
RECQL P46063 1/20 0.51
LMNA P02545 1/20 0.45
PTPN11 Q06124 2/20 0.44
MMP13 P45452 1/20 0.44
HASPIN Q8TF76 1/20 0.44
PTP4A3 O75365 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DYRK3 O43781 2/20 0.43
DAPK3 O43293 1/20 0.43
PIM1 P11309 1/20 0.43
CSNK2A1 P68400 1/20 0.43
DYRK1A Q13627 1/20 0.43
PIM3 Q86V86 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL249330 1.00 NPSR1 (0.51) NPSR1MAPTCDC7RECQLLMNA
SCHEMBL252478 0.89 MAPT (0.64) NPSR1MAPTCDC7RECQLLMNA
SCHEMBL252479 0.89 MAPT (0.64) NPSR1MAPTCDC7RECQLLMNA
SCHEMBL253009 0.88 CDC7 (0.49) NPSR1MAPTCDC7RECQLLMNA
SCHEMBL249121 0.88 MAPT (0.52) NPSR1MAPTCDC7RECQLLMNA
SCHEMBL249122 0.88 MAPT (0.52) NPSR1MAPTCDC7RECQLLMNA
SCHEMBL8513536 0.86 CDC7 (0.45) NPSR1MAPTCDC7RECQLLMNA
SCHEMBL247678 0.86 CDC7 (0.45) NPSR1MAPTCDC7RECQLLMNA
SCHEMBL246096 0.85 CDC7 (0.44) NPSR1MAPTCDC7RECQLLMNA
SCHEMBL249527 0.85 CDC7 (0.46) NPSR1MAPTCDC7RECQLLMNA

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
EP-2588478-A1 AZAINDOLE DERIVATIVE SBI Biotech Co., Ltd. (JP) 2013-05-08 EP claimed
US-20120135989-A1 AZAINDOLE DERIVATIVE CRYSTALGENOMICS, INC. (KR) 2012-05-31 US claimed
WO-2012002568-A1 AZAINDOLE DERIVATIVE SBI BIOTECH CO., LTD. (JP) 2012-01-05 WO claimed
EP-2588478-A1 AZAINDOLE DERIVATIVE SBI Biotech Co., Ltd. (JP) 2013-05-08 EP disclosed
US-20120135989-A1 AZAINDOLE DERIVATIVE CRYSTALGENOMICS, INC. (KR) 2012-05-31 US disclosed
WO-2012002568-A1 AZAINDOLE DERIVATIVE SBI BIOTECH CO., LTD. (JP) 2012-01-05 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-20120135989-A1 AZAINDOLE DERIVATIVE CDC7, CDCA2, CDC5L NPSR1 3921/4885MAPT 4131/4885CDC7 1/4885

“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.