SCHEMBL1289484

SCHEMBL1289484

CN(C)CCCNc1nc(-c2cc3ccccc3o2)nc2cccc([N+](=O)[O-])c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD2 P14416 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
CHRM3 P20309 1/20 0.56
MAOA P21397 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
ADORA2A P29274 1/20 0.56
ADRA1A P35348 1/20 0.56
HRH1 P35367 1/20 0.56
DRD3 P35462 1/20 0.56
HTR2B P41595 1/20 0.56
PDE4D Q08499 1/20 0.56
KCNH2 Q12809 1/20 0.56
TERT O14746 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
RAD52 P43351 5/20 0.43

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
SCHEMBL1289432 0.87 CHRM2 (0.49) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL1289348 0.85 CXCR1 (0.48) TERTALDH1A1MAPK1RAD52KMT2A
Hydrochloric Acid SCHEMBL4505109 0.85 RAD52 (0.50) CHRM2CHRM1DRD2ADRA2BADRA2C
Hydrochloric Acid SCHEMBL4499450 0.84 CXCR1 (0.48) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL1289356 0.83 TERT (0.51) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL1289531 0.83 TERT (0.49) CHRM2CHRM1DRD2ADRA2BADRA2C
Hydrochloric Acid SCHEMBL4509152 0.83 RAD52 (0.48) TERTALDH1A1MAPK1RAD52KMT2A
SCHEMBL1289354 0.82 MKNK1 (0.50) KCNH2ALDH1A1MAPK1RAD52KMT2A
SCHEMBL1289430 0.81 ALDH1A1 (0.65) ALDH1A1MAPK1RAD52KMT2APOLB
Hydrochloric Acid SCHEMBL4507915 0.81 ALDH1A1 (0.67) ALDH1A1MAPK1RAD52KMT2APOLB

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 CHRM2 4831/4885CHRM1 4774/4885DRD2 2906/4885

“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.