SCHEMBL1289530

SCHEMBL1289530

CN(C)CCCNc1nc(-c2cc3ccccc3o2)nc2c(C(N)=O)cccc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
RAD52 P43351 3/20 0.42
KMT2A Q03164 1/20 0.42
CD38 P28907 6/20 0.41
POLB P06746 2/20 0.40
HSD17B10 Q99714 2/20 0.40
AURKA O14965 2/20 0.40
RPS6KB1 P23443 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TOP2A P11388 1/20 0.39
CYP3A4 P08684 1/20 0.39
KCNH2 Q12809 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
PARP1 P09874 1/20 0.38

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
Hydrochloric Acid SCHEMBL4493832 0.85 ALDH1A1 (0.50) MKNK1ALDH1A1MAPK1RAD52KMT2A
Hydrochloric Acid SCHEMBL4504952 0.84 RAD52 (0.50) MKNK1ALDH1A1MAPK1RAD52KMT2A
SCHEMBL1289521 0.84 ALDH1A1 (0.44) MKNK1ALDH1A1MAPK1RAD52KMT2A
Hydrochloric Acid SCHEMBL4505202 0.83 ALDH1A1 (0.47) MKNK1ALDH1A1MAPK1RAD52KMT2A
SCHEMBL1289432 0.83 CHRM2 (0.49) MKNK1ALDH1A1MAPK1RAD52KMT2A
SCHEMBL1289428 0.83 MAPK1 (0.48) MKNK1ALDH1A1MAPK1RAD52KMT2A
SCHEMBL1289436 0.83 MAPK1 (0.48) MKNK1ALDH1A1MAPK1RAD52KMT2A
Hydrochloric Acid SCHEMBL4498523 0.82 MAPK1 (0.49) MKNK1ALDH1A1MAPK1RAD52KMT2A
Hydrochloric Acid SCHEMBL4493025 0.82 MAPK1 (0.49) MKNK1ALDH1A1MAPK1RAD52KMT2A
Hydrochloric Acid SCHEMBL4508262 0.82 RAD52 (0.48) MKNK1ALDH1A1MAPK1RAD52KMT2A

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 3 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
WO-2012046207-A1 ANTI-PARASITIC SUBSTITUTED RING FUSED AZINE COMPOUNDS PARACO TECHNOLOGY LIMITED (NZ) 2012-04-12 WO disclosed
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 MKNK1 1311/4885ALDH1A1 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.