SCHEMBL3539558

SCHEMBL3539558

CNC(=O)CCN(CCOC)c1nc(Cl)ncc1Br

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CRHR1 P34998 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BTK Q06187 1/20 0.32
S1PR1 P21453 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL4169986 0.93 KDM4E (0.35) HDAC3HDAC1HDAC6MEN1KMT2A
SCHEMBL3546180 0.86 MEN1 (0.43) CRHR1MEN1KMT2ALMNA
SCHEMBL3542118 0.84 MEN1 (0.33) HDAC1MEN1KMT2AABL1BCR
SCHEMBL3545008 0.83 MEN1 (0.33) MEN1KMT2AABL1BCR
SCHEMBL3546883 0.81 HSD17B1 (0.37) HDAC3HDAC1HDAC6ABL1BCR
SCHEMBL3543306 0.81 CRHR1 (0.35) CRHR1MEN1KMT2AS1PR1LMNA
SCHEMBL3542239 0.81 MEN1 (0.34) MEN1KMT2ABTKABL1BCR
SCHEMBL3944499 0.79 MEN1 (0.31) MEN1KMT2AABL1BCR
SCHEMBL3537452 0.78 ABL1 (0.35) MEN1KMT2AS1PR1ABL1BCR
SCHEMBL3540225 0.75 IGF1R (0.32) MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
CN-101511836-A Fused pyrimido compounds ASTRAZENECA AB (SE) 2009-08-19 CN 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 HDAC3 585/4885HDAC1 590/4885HDAC6 125/4885

“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.