SCHEMBL4254602

SCHEMBL4254602

CCOc1c(Br)cc(C2C(C#N)=C(N)OC3=C2C(=O)C(C)C(C)=N3)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYB P10242 7/20 0.55
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
BRCA1 P38398 1/20 0.46
TUBB4A P04350 3/20 0.45
TUBB P07437 3/20 0.45
TUBA3C P0DPH7 3/20 0.45
TUBA1B P68363 3/20 0.45
TUBA4A P68366 3/20 0.45
TUBB4B P68371 3/20 0.45
TUBB3 Q13509 3/20 0.45
TUBB2A Q13885 3/20 0.45
TUBB8 Q3ZCM7 3/20 0.45
TUBA3E Q6PEY2 3/20 0.45
TUBA1A Q71U36 3/20 0.45
TUBA1C Q9BQE3 3/20 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
SCHEMBL13655416 0.74 GAA (0.62) MYBKMT2AHSD17B10MAPTPOLB
SCHEMBL4319503 0.70 TUBB4A (0.70) MYBMEN1KMT2AHSD17B10MAPT
SCHEMBL6640779 0.68 TUBB4A (0.61) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6420077 0.67 TUBB4A (0.60) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4332597 0.66 TUBB4A (0.77) MYBMEN1KMT2AHSD17B10MAPT
SCHEMBL5959431 0.66 TUBB4A (0.70) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1752745 0.66 TUBB4A (0.73) MYBMEN1KMT2AHSD17B10MAPT
SCHEMBL4326758 0.66 TUBB4A (0.69) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1413942 0.66 ALDH1A1 (0.51) MYBMEN1KMT2AHSD17B10MAPT
SCHEMBL4322223 0.65 TUBB4A (0.78) MYBMEN1KMT2AHSD17B10MAPT

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-20090247566-A1 Pyrano [3,2-C] Pyridones and Related Heterocyclic Compounds as Pharmaceutical Agents for Treating Disorders Responsive to Apoptosis, Antiproliferation or Vascular Disruption, and the Use Thereof NEW MEXICO TECHNICAL RESEARCH FOUNDATION 2009-10-01 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-20090247566-A1 Pyrano [3,2-C] Pyridones and Related Heterocyclic Compounds as Pharmaceutical Agents for Treating Disorders Responsive to Apoptosis, Antiproliferation or Vascular Disruption, and the Use Thereof BAX, CASP3, CASP7 MYB 3543/4885MEN1 2878/4885KMT2A 4806/4885

“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.