SCHEMBL249526

SCHEMBL249526

Cc1cc(OCCN2CCN(C)CC2)ccc1/N=C1/NC(=O)/C(=C/c2c[nH]c3ncccc23)S1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.46
MAPT P10636 6/20 0.44
NPSR1 Q6W5P4 5/20 0.44
KDR P35968 1/20 0.44
RECQL P46063 1/20 0.44
CYP3A4 P08684 2/20 0.42
ROCK1 Q13464 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
CIT O14578 1/20 0.38
JAK2 O60674 1/20 0.38
FLT3 P36888 1/20 0.38
GSK3B P49841 1/20 0.38
JAK3 P52333 1/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL249527 1.00 CDC7 (0.46) CDC7MAPTNPSR1KDRRECQL
SCHEMBL252851 0.93 KDR (0.53) CDC7MAPTNPSR1KDRRECQL
SCHEMBL252852 0.93 KDR (0.53) CDC7MAPTNPSR1KDRRECQL
SCHEMBL253009 0.86 CDC7 (0.49) CDC7MAPTNPSR1RECQLTDP1
SCHEMBL8513536 0.86 CDC7 (0.45) CDC7MAPTNPSR1RECQLTDP1
SCHEMBL247678 0.86 CDC7 (0.45) CDC7MAPTNPSR1RECQLTDP1
SCHEMBL249331 0.85 NPSR1 (0.51) CDC7MAPTNPSR1RECQLTDP1
SCHEMBL249330 0.85 NPSR1 (0.51) CDC7MAPTNPSR1RECQLTDP1
SCHEMBL246096 0.84 CDC7 (0.44) CDC7MAPTNPSR1RECQLTDP1
SCHEMBL8509684 0.84 CDC7 (0.44) CDC7MAPTNPSR1RECQLTDP1

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 8 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
US-20120135989-A1 AZAINDOLE DERIVATIVE CRYSTALGENOMICS, INC. (KR) 2012-05-31 US 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 CDC7 1/4885MAPT 4131/4885NPSR1 3921/4885

“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.