SCHEMBL4498537

SCHEMBL4498537

OCCCNc1nc(-c2cc3ccccc3o2)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPK1 P28482 2/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ACP1 P24666 1/20 0.48
RAD52 P43351 4/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.47
GBA1 P04062 2/20 0.47
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MERTK Q12866 2/20 0.45

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
SCHEMBL1289393 0.90 POLB (0.52) PDE5AMEN1KMT2AMAPK1MAPT
SCHEMBL1289430 0.88 ALDH1A1 (0.65) KMT2AMAPK1ACP1RAD52POLB
Hydrochloric Acid SCHEMBL4507915 0.87 ALDH1A1 (0.67) KMT2AMAPK1ACP1RAD52POLB
SCHEMBL1289384 0.86 POLB (0.66) PDE5AKMT2AMAPK1ACP1RAD52
SCHEMBL1289460 0.85 POLB (0.56) PDE5AKMT2AMAPK1ACP1RAD52
Hydrochloric Acid SCHEMBL4512327 0.85 POLB (0.68) KMT2AMAPK1ACP1RAD52POLB
SCHEMBL12473363 0.84 ALDH1A1 (0.60) PDE5AKMT2AMAPK1ACP1RAD52
Hydrochloric Acid SCHEMBL4500478 0.84 ALDH1A1 (0.62) PDE5AKMT2AMAPK1ACP1RAD52
SCHEMBL1289397 0.83 ACP1 (0.67) MEN1KMT2AMAPK1MAPTNPSR1
SCHEMBL1289433 0.83 TLR9 (0.62) PDE5AKMT2AMAPK1ACP1RAD52

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 PDE5A 2492/4885MEN1 1322/4885KMT2A 475/4885

“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.