SCHEMBL4559941

SCHEMBL4559941

[O-][n+]1c(O)ncc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 4/20 0.33
GPR3 P46089 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
PDPK1 O15530 1/20 0.32
MMP2 P08253 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
COMT P21964 1/20 0.31
ADRA1A P35348 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL5259264 0.76 ATM (0.48) ATMMEN1POLBCASP6KMT2A
SCHEMBL4620642 0.76 ATM (0.48) ATMMEN1POLBCASP6KMT2A
SCHEMBL8424490 0.76 ATM (0.48) ATMMEN1POLBCASP6KMT2A
SCHEMBL3535166 0.76 ATM (0.48) ATMMEN1POLBCASP6KMT2A
SCHEMBL6081734 0.76 ATM (0.44) ATMNPC1RAB9A
SCHEMBL3111168 0.75 ATM (0.40) ATMMEN1POLBCASP6KMT2A
SCHEMBL5250885 0.73 ATM (0.45) ATMNPC1RAB9AKDM4EGPR3
SCHEMBL9769252 0.73 ATM (0.45) ATMNPC1RAB9AKDM4EGPR3
SCHEMBL9769436 0.72 ATM (0.44) ATMNPC1RAB9A
SCHEMBL8423013 0.72 ATM (0.44) ATMNPC1RAB9ACYP1A2CYP2A6

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 1 patent. 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 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 ATM 1792/4885MEN1 1322/4885POLB 3856/4885

“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.