SCHEMBL4154461

SCHEMBL4154461

CC(C)(N)c1ccc(-c2cncc(Br)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.49
CYP11B2 P19099 3/20 0.46
CYP11B1 P15538 2/20 0.46
CDK1 P06493 1/20 0.40
KDR P35968 1/20 0.40
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
PGR P06401 1/20 0.39
KIF11 P52732 2/20 0.39
PTK2 Q05397 1/20 0.37
PTGS2 P35354 3/20 0.36
PDE2A O00408 1/20 0.35
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
MAP4K4 O95819 1/20 0.35
SCN10A Q9Y5Y9 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
SCHEMBL5160 0.82 CYP11B1 (0.61) CYP2A6CYP11B2CYP11B1KIF11PTGS2
SCHEMBL13778375 0.81 CYP2A6 (0.50) CYP2A6CYP11B2CYP11B1AKT1AKT2
SCHEMBL3664772 0.80 CYP11B2 (0.44) CYP2A6CYP11B2CYP11B1PGRKIF11
SCHEMBL5116017 0.76 CYP2A6 (0.52) CYP2A6CYP11B2CYP11B1PGRPTK2
SCHEMBL3374955 0.76 CYP2A6 (0.52) CYP2A6CYP11B2CYP11B1PGRPTK2
SCHEMBL5110764 0.76 CYP2A6 (0.52) CYP2A6CYP11B2CYP11B1PGRPTK2
SCHEMBL31303064 0.76 CYP11B2 (0.50) CYP11B2CYP11B1KIF11MAP4K4
SCHEMBL17164814 0.74 PDE2A (0.54) AKT1AKT2KIF11PDE2ASCN10A
SCHEMBL14392676 0.74 CYP2A6 (0.61) CYP2A6CYP11B2CYP11B1PGRPTK2
SCHEMBL3668760 0.73 CYP11B1 (0.39) CYP2A6CYP11B2CYP11B1PGRKIF11

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-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 CYP2A6 1045/4885CYP11B2 1994/4885CYP11B1 1713/4885

“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.