SCHEMBL4494877

SCHEMBL4494877

O=c1[nH]c(-c2cc3ccccc3s2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
KDM4E B2RXH2 2/20 0.59
PKM P14618 1/20 0.59
TNKS O95271 7/20 0.56
TNKS2 Q9H2K2 7/20 0.56
PARP1 P09874 4/20 0.56
TOP2A P11388 1/20 0.53
TOP2B Q02880 1/20 0.53
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
GUSB P08236 8/20 0.50
PARP2 Q9UGN5 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL12351809 0.82 HPGD (0.69) HPGDKDM4EPKMTNKSTNKS2
SCHEMBL484134 0.79 NPC1 (0.58) HPGDKDM4EPKMALDH1A1MAPT
SCHEMBL6695759 0.78 TNKS2 (0.81) HPGDKDM4EPKMTNKSTNKS2
SCHEMBL29502878 0.77 PARP1 (0.51) KDM4ETNKSTNKS2PARP1ALDH1A1
SCHEMBL18702980 0.77 PARP1 (0.51) KDM4ETNKSTNKS2PARP1ALDH1A1
SCHEMBL25921289 0.77 HPGD (0.63) HPGDKDM4EPKMTNKSTNKS2
SCHEMBL8787406 0.76 ALDH1A1 (0.51) HPGDKDM4EPKMALDH1A1MAPT
SCHEMBL30362164 0.75 HPGD (1.00) HPGDKDM4EPKMTNKSTNKS2
SCHEMBL11830857 0.75 HPGD (1.00) HPGDKDM4EPKMTNKSTNKS2
SCHEMBL13700927 0.74 ALDH1A1 (0.59) HPGDKDM4EALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED 2009-12-24 US claimed
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED 2009-12-24 US disclosed
CN-101460490-A Substituted ring fused azines and their use in cancer therapy AUCKLAND UNISERVICES LTD (NZ) 2009-06-17 CN 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-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY TP53, AZI2, MCL1 HPGD 1540/4885KDM4E 221/4885PKM 4604/4885

“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.