SCHEMBL3671038

SCHEMBL3671038

COC(=O)CN(C)Cc1ccc(-c2cncc(Br)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KMT2A Q03164 4/20 0.39
LSS P48449 2/20 0.39
HDAC1 Q13547 2/20 0.39
KDM1A O60341 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.38
AOC3 Q16853 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
PRMT6 Q96LA8 1/20 0.37

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
SCHEMBL3665861 0.87 CYP4F2 (0.43) CYP11B1CYP11B2AOC3PRMT6
SCHEMBL13778459 0.86 CYP11B1 (0.41) CYP11B1CYP11B2KMT2AHDAC1KDM1A
SCHEMBL3669289 0.82 CYP11B1 (0.54) CYP11B1CYP11B2KMT2AHDAC1KDM1A
SCHEMBL4164539 0.81 HDAC1 (0.37) CYP11B1CYP11B2KMT2AHDAC1KDM1A
SCHEMBL27828797 0.81 LSS (0.39) KMT2ALSSHDAC1KDM1ASMN1; SMN2
SCHEMBL16590355 0.80 KMT2A (0.53) KMT2ALSSSMN1; SMN2HTTMAPT
SCHEMBL3664657 0.80 CYP11B1 (0.48) CYP11B1CYP11B2KMT2AHDAC1KDM1A
SCHEMBL3796814 0.78 LIPG (0.37) CYP11B1CYP11B2HDAC1KDM1AAOC3
SCHEMBL4165962 0.78 ALDH1A1 (0.33) CYP11B1CYP11B2KMT2ALSSMEN1
SCHEMBL3721196 0.78 HDAC1 (0.45) CYP11B1CYP11B2HDAC1KDM1ASMN1; SMN2

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 1994/4885KMT2A 1867/4885

“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.