SCHEMBL4497130

SCHEMBL4497130

O=c1[nH]c(-c2cc3ccccc3o2)nc2cc(Br)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
TNKS O95271 2/20 0.48
TNKS2 Q9H2K2 2/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
MAOB P27338 3/20 0.47
PDE10A Q9Y233 1/20 0.46
MAOA P21397 2/20 0.45
ADRA2A P08913 3/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
PARP1 P09874 1/20 0.40
PIM1 P11309 2/20 0.40
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 2/20 0.40
PIM3 Q86V86 2/20 0.40

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
SCHEMBL4510483 0.90 MAPT (0.52) KDM4EALDH1A1MAPTTNKSTNKS2
SCHEMBL4511616 0.85 ALDH1A1 (0.68) KDM4EALDH1A1MAPTTNKSTNKS2
SCHEMBL4502760 0.85 MAPT (0.52) KDM4EALDH1A1MAPTTNKSTNKS2
SCHEMBL4512303 0.85 TNKS (0.58) KDM4EALDH1A1MAPTTNKSTNKS2
SCHEMBL29827309 0.85 KDM4E (0.52) KDM4EALDH1A1MAPTTNKSTNKS2
SCHEMBL4507834 0.85 ALDH1A1 (0.52) KDM4EALDH1A1MAPTTNKSTNKS2
SCHEMBL4496766 0.85 KDM4E (0.52) KDM4EALDH1A1MAPTTNKSTNKS2
SCHEMBL4501935 0.84 KDM4E (0.53) KDM4EALDH1A1MAPTTNKSTNKS2
SCHEMBL4495351 0.82 KMT2A (0.52) KDM4EALDH1A1MAPTTNKSTNKS2
SCHEMBL4499421 0.82 TNKS (0.51) KDM4EALDH1A1MAPTTNKSTNKS2

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 2 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

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 KDM4E 221/4885ALDH1A1 217/4885MAPT 4852/4885

“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.