SCHEMBL4510629

SCHEMBL4510629

CN(C)CCCNc1nc(-c2cc3cc(Cl)ccc3o2)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.66
ALDH1A1 P00352 1/20 0.59
MAPK1 P28482 1/20 0.59
RAD52 P43351 5/20 0.56
KMT2A Q03164 4/20 0.55
SLC2A1 P11166 2/20 0.53
RXFP1 Q9HBX9 1/20 0.52
TERT O14746 4/20 0.51
MEN1 O00255 2/20 0.50
TLR9 Q9NR96 1/20 0.49
FLT3 P36888 3/20 0.48
SMARCA2 P51531 1/20 0.47
TOP2A P11388 1/20 0.47
NPC1 O15118 1/20 0.46
APOBEC3A P31941 1/20 0.46
RAB9A P51151 1/20 0.46
APOBEC3G Q9HC16 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 0.89 ALDH1A1 (0.65) POLBALDH1A1MAPK1RAD52KMT2A
SCHEMBL1289349 0.88 POLB (0.58) POLBALDH1A1MAPK1RAD52KMT2A
Hydrochloric Acid SCHEMBL4509844 0.88 RAD52 (0.66) POLBALDH1A1MAPK1RAD52KMT2A
SCHEMBL1289449 0.88 ALDH1A1 (0.59) POLBALDH1A1MAPK1RAD52KMT2A
Hydrochloric Acid SCHEMBL4507915 0.88 ALDH1A1 (0.67) POLBALDH1A1MAPK1RAD52KMT2A
Hydrochloric Acid SCHEMBL4496541 0.87 POLB (0.57) POLBALDH1A1MAPK1RAD52KMT2A
Hydrochloric Acid SCHEMBL4508661 0.87 POLB (0.57) POLBALDH1A1MAPK1RAD52KMT2A
SCHEMBL12473363 0.86 ALDH1A1 (0.60) POLBALDH1A1MAPK1RAD52KMT2A
Hydrochloric Acid SCHEMBL4500478 0.85 ALDH1A1 (0.62) POLBALDH1A1MAPK1RAD52KMT2A
SCHEMBL10065462 0.82 RAD52 (0.68) POLBALDH1A1MAPK1RAD52KMT2A

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 POLB 3856/4885ALDH1A1 217/4885MAPK1 4692/4885

“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.