SCHEMBL1289374

SCHEMBL1289374

CN(C)CCCNc1nc(-c2cc3ccccc3o2)nc2ccc(C(F)(F)F)cc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
RAD52 P43351 3/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 2/20 0.46
FLT3 P36888 6/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TRIM58 Q8NG06 2/20 0.42
KDM1A O60341 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
KCNH2 Q12809 1/20 0.41
TOP2A P11388 1/20 0.41
CXCR1 P25024 1/20 0.41
CXCR2 P25025 1/20 0.41
TLR9 Q9NR96 1/20 0.40

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 SCHEMBL4512608 0.92 ALDH1A1 (0.50) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL1289369 0.88 FLT3 (0.57) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL1289520 0.87 FLT3 (0.53) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL1289430 0.86 ALDH1A1 (0.65) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL1289349 0.86 POLB (0.58) ALDH1A1MAPK1RAD52KMT2APOLB
Hydrochloric Acid SCHEMBL4506872 0.86 RAD52 (0.57) ALDH1A1MAPK1RAD52KMT2APOLB
Hydrochloric Acid SCHEMBL4508209 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1RAD52KMT2APOLB
Hydrochloric Acid SCHEMBL4507915 0.85 ALDH1A1 (0.67) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL1289391 0.85 RAD52 (0.59) ALDH1A1MAPK1RAD52KMT2APOLB
Hydrochloric Acid SCHEMBL4508661 0.85 POLB (0.57) 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 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 ALDH1A1 217/4885MAPK1 4692/4885RAD52 611/4885

“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.