SCHEMBL3538730

SCHEMBL3538730

CCC(C)N(CCC(=O)NC)c1nc(Cl)ncc1Br

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
S1PR1 P21453 1/20 0.31

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
SCHEMBL3537452 0.90 ABL1 (0.35) ABL1BCRMEN1KMT2AS1PR1
SCHEMBL3934658 0.85 ABL1 (0.33) ABL1BCRMEN1KMT2A
SCHEMBL3546180 0.81 MEN1 (0.43) MEN1KMT2A
SCHEMBL3542239 0.81 MEN1 (0.34) ABL1BCRMEN1KMT2A
SCHEMBL3545008 0.81 MEN1 (0.33) ABL1BCRMEN1KMT2A
SCHEMBL3542118 0.80 MEN1 (0.33) ABL1BCRMEN1KMT2A
SCHEMBL3944499 0.77 MEN1 (0.31) ABL1BCRMEN1KMT2A
SCHEMBL3540225 0.75 IGF1R (0.32) MEN1KMT2A
SCHEMBL3539558 0.75 HDAC3 (0.38) ABL1BCRMEN1KMT2AS1PR1
SCHEMBL3543306 0.74 CRHR1 (0.35) MEN1KMT2AS1PR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 ABL1 1714/4885BCR 3489/4885MEN1 1408/4885

“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.