SCHEMBL252852

SCHEMBL252852

Cc1cc(OCCN2CCOCC2)ccc1N=C1NC(=O)C(=Cc2c[nH]c3ncccc23)S1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.53
CDC7 O00311 7/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.43
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
MAOA P21397 1/20 0.39
MAPK8 P45983 4/20 0.39
CAMKK2 Q96RR4 4/20 0.39
CHUK O15111 3/20 0.39
INSR P06213 3/20 0.39
ALOX5 P09917 1/20 0.38

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
SCHEMBL252851 1.00 KDR (0.53) KDRCDC7HPGDNPSR1MAPT
SCHEMBL249526 0.93 CDC7 (0.46) KDRCDC7HPGDNPSR1MAPT
SCHEMBL249527 0.93 CDC7 (0.46) KDRCDC7HPGDNPSR1MAPT
SCHEMBL253009 0.85 CDC7 (0.49) CDC7HPGDNPSR1MAPTRECQL
SCHEMBL249331 0.84 NPSR1 (0.51) CDC7NPSR1MAPTRECQLMAPK1
SCHEMBL249330 0.84 NPSR1 (0.51) CDC7NPSR1MAPTRECQLMAPK1
SCHEMBL247678 0.82 CDC7 (0.45) CDC7HPGDNPSR1MAPTRECQL
SCHEMBL8513536 0.82 CDC7 (0.45) CDC7HPGDNPSR1MAPTRECQL
SCHEMBL246096 0.81 CDC7 (0.44) CDC7HPGDNPSR1MAPTRECQL
SCHEMBL8509684 0.81 CDC7 (0.44) CDC7HPGDNPSR1MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135989-A1 AZAINDOLE DERIVATIVE CRYSTALGENOMICS, INC. (KR) 2012-05-31 US 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 KDR 3869/4885CDC7 1/4885HPGD 4159/4885

“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.