SCHEMBL3726044

SCHEMBL3726044

CN(CCO)C(C)(C)c1ccc(-c2cncc(Br)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PGR P06401 1/20 0.33
KMT2A Q03164 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
LSS P48449 1/20 0.31
KIF11 P52732 1/20 0.31
ALPL P05186 1/20 0.31
PTGS2 P35354 1/20 0.30
SLC9A5 Q14940 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM1A O60341 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL13778502 0.85 CYP2A6 (0.37) CYP11B1CYP11B2CYP2A6PRMT6KIF11
SCHEMBL3664772 0.82 CYP11B2 (0.44) CYP11B1CYP11B2CYP2A6CYP1A2CYP3A4
SCHEMBL3663492 0.77 LIPG (0.35)
SCHEMBL4155265 0.76 KIF11 (0.31) KIF11SLC9A5
SCHEMBL3668760 0.75 CYP11B1 (0.39) CYP11B1CYP11B2CYP2A6CYP1A2CYP3A4
SCHEMBL4154461 0.72 CYP2A6 (0.49) CYP11B1CYP11B2CYP2A6PGRKIF11
SCHEMBL8354127 0.70 TSHR (0.41) KMT2ASLC9A5MAPT
SCHEMBL5160 0.69 CYP11B1 (0.61) CYP11B1CYP11B2CYP2A6CYP1A2KIF11
SCHEMBL3668578 0.69 MKNK1 (0.53) CYP11B1CYP11B2CYP2A6PGRKIF11
SCHEMBL4159355 0.68 HRH3 (0.57) CYP11B1CYP11B2CYP2A6PGRPRMT6

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 CYP11B1 1713/4885CYP11B2 1994/4885CYP2A6 1045/4885

“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.