SCHEMBL3725815

SCHEMBL3725815

CC(C)(C)OC(=O)NCc1ccc(-c2cncc(Br)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.49
HDAC1 Q13547 5/20 0.48
DYRK1A Q13627 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KDM1A O60341 2/20 0.46
HDAC6 Q9UBN7 1/20 0.45
CYP17A1 P05093 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SDCBP O00560 1/20 0.44
SDC2 P34741 1/20 0.44
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
GRM2 Q14416 1/20 0.43
HPN P05981 1/20 0.42
GAA P10253 1/20 0.42
AKT1 P31749 1/20 0.41

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
SCHEMBL3728033 0.87 DYRK1A (0.47) NAMPTHDAC1DYRK1ASMN1; SMN2
SCHEMBL13999418 0.84 DYRK1A (0.49) NAMPTHDAC1DYRK1AL3MBTL1SMN1; SMN2
SCHEMBL3378929 0.81 CYP17A1 (0.56) NAMPTHDAC1HDAC6CYP17A1
SCHEMBL506891 0.80 CYP17A1 (0.61) NAMPTHDAC1DYRK1AL3MBTL1CYP17A1
SCHEMBL20299920 0.80 DYRK1A (0.56) NAMPTHDAC1DYRK1A
SCHEMBL2568479 0.80 NAMPT (0.66) NAMPTHDAC1L3MBTL1CYP17A1AKT1
SCHEMBL29376317 0.80 DYRK1A (0.56) NAMPTHDAC1DYRK1A
SCHEMBL81094 0.80 FPR3 (0.58) NAMPTHDAC1L3MBTL1SMN1; SMN2FPR3
SCHEMBL3671026 0.79 CYP1A2 (0.41) HDAC1CYP17A1SMN1; SMN2
SCHEMBL3180689 0.78 L3MBTL1 (0.61) NAMPTHDAC1L3MBTL1HDAC6SDCBP

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-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 NAMPT 3303/4885HDAC1 3723/4885DYRK1A 1550/4885

“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.