SCHEMBL1289433

SCHEMBL1289433

CN(C)CCNc1nc(-c2cc3ccccc3o2)nc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.62
RAD52 P43351 4/20 0.60
POLB P06746 3/20 0.60
SMARCA2 P51531 1/20 0.60
ACP1 P24666 1/20 0.57
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.51
FLT3 P36888 4/20 0.50
TOP2A P11388 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
CSNK2A1 P68400 1/20 0.48
GAA P10253 1/20 0.48
ALPG P10696 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
NCF1 P14598 2/20 0.47
PDE5A O76074 1/20 0.46

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
SCHEMBL1289430 0.93 ALDH1A1 (0.65) TLR9RAD52POLBSMARCA2ACP1
SCHEMBL12473363 0.92 ALDH1A1 (0.60) TLR9RAD52POLBSMARCA2ACP1
Hydrochloric Acid SCHEMBL4507915 0.92 ALDH1A1 (0.67) TLR9RAD52POLBSMARCA2ACP1
Hydrochloric Acid SCHEMBL4500478 0.91 ALDH1A1 (0.62) TLR9RAD52POLBSMARCA2ACP1
SCHEMBL1289384 0.85 POLB (0.66) RAD52POLBACP1ALDH1A1MAPK1
SCHEMBL1289460 0.84 POLB (0.56) TLR9RAD52POLBACP1ALDH1A1
Hydrochloric Acid SCHEMBL4512327 0.84 POLB (0.68) RAD52POLBACP1ALDH1A1MAPK1
SCHEMBL1289520 0.83 FLT3 (0.53) TLR9RAD52POLBALDH1A1MAPK1
SCHEMBL4510473 0.83 ALDH1A1 (0.52) TLR9RAD52POLBSMARCA2ALDH1A1
SCHEMBL4498537 0.83 PDE5A (0.58) RAD52POLBACP1ALDH1A1MAPK1

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 TLR9 1798/4885RAD52 611/4885POLB 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.