SCHEMBL3671026

SCHEMBL3671026

CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2cncc(Br)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
AAK1 Q2M2I8 3/20 0.39
CYP17A1 P05093 4/20 0.38
ALPL P05186 2/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
UCHL1 P09936 1/20 0.36
USP30 Q70CQ3 1/20 0.36
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE2A O00408 1/20 0.35
CYP2A6 P11509 1/20 0.35
RORC P51449 1/20 0.35
HDAC1 Q13547 1/20 0.34
XDH P47989 1/20 0.34

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
SCHEMBL3666272 0.87 CYP17A1 (0.38) CYP1A2CYP3A4CYP2C19CYP2C9AAK1
SCHEMBL3671385 0.86 AAK1 (0.41) CYP1A2CYP3A4CYP2C19CYP2C9AAK1
SCHEMBL3665810 0.83 CYP11B1 (0.41) CYP1A2CYP3A4CYP2C19CYP2C9AAK1
SCHEMBL3378929 0.82 CYP17A1 (0.56) CYP17A1RORCHDAC1
SCHEMBL31303023 0.80 KIF11 (0.54) CYP17A1CYP11B1CYP11B2RAB9A
SCHEMBL1141998 0.79 NPC1 (0.51) CYP2C19CYP2C9AAK1NPC1RECQL
SCHEMBL3725815 0.79 NAMPT (0.49) CYP17A1SMN1; SMN2HDAC1
SCHEMBL4162120 0.78 CTSK (0.41) AAK1CYP17A1XDH
SCHEMBL3672641 0.78 CTSK (0.41) AAK1CYP17A1XDH
SCHEMBL4154310 0.78 CTSK (0.41) AAK1CYP17A1XDH

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 CYP1A2 871/4885CYP3A4 111/4885CYP2C19 1014/4885

“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.