SCHEMBL3543306

SCHEMBL3543306

CNC(=O)CCN(CC1CC1)c1nc(Cl)ncc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NR1I2 O75469 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
IGF1R P08069 1/20 0.32
S1PR1 P21453 3/20 0.31
S1PR3 Q99500 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
SCHEMBL3546180 0.85 MEN1 (0.43) CRHR1MEN1KMT2ALMNAIGF1R
SCHEMBL3545008 0.82 MEN1 (0.33) MEN1KMT2A
SCHEMBL3542118 0.81 MEN1 (0.33) MEN1KMT2A
SCHEMBL3539558 0.81 HDAC3 (0.38) CRHR1MEN1KMT2ALMNATSHR
SCHEMBL3540225 0.81 IGF1R (0.32) MEN1KMT2AIGF1R
SCHEMBL3542239 0.80 MEN1 (0.34) MEN1KMT2A
SCHEMBL3539906 0.80 IDO1 (0.35) IGF1R
SCHEMBL3542272 0.79 NPC1 (0.33) MEN1KMT2ALMNATSHRNPSR1
SCHEMBL3944499 0.78 MEN1 (0.31) MEN1KMT2A
SCHEMBL3537452 0.77 ABL1 (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 3 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
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 CRHR1 914/4885MEN1 1408/4885KMT2A 4680/4885

“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.