SCHEMBL4117997

SCHEMBL4117997

Cc1nn(-c2ccc(F)cc2)c2cccc(Br)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 2/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
SLC34A1 Q06495 1/20 0.40
GRM2 Q14416 1/20 0.40
PLK1 P53350 1/20 0.39
LMNA P02545 2/20 0.39
AR P10275 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
CYP17A1 P05093 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL12253495 0.74 SLC34A1 (0.58) CYP1A2CYP2C9CYP19A1CYP11B1CYP11B2
SCHEMBL31583268 0.72 MAPK13 (0.40) GRM2LMNAHTTMEN1KMT2A
SCHEMBL16506029 0.72 MAPK13 (0.40) GRM2LMNAHTTMEN1KMT2A
SCHEMBL10124297 0.71 SLC34A1 (0.46) CYP1A2SLC34A1PLK1LMNAAR
SCHEMBL12572460 0.69 NPC1 (0.44) CYP2C9CYP19A1CYP11B1CYP11B2MEN1
SCHEMBL441028 0.69 CYP1A2 (0.54) CYP1A2CYP17A1ALDH1A1L3MBTL1
SCHEMBL1135838 0.69 KMT2A (0.42) LMNAMEN1KMT2AKDM4EL3MBTL1
SCHEMBL31582737 0.68 PDE1A (0.39) GRM2
SCHEMBL13202609 0.68 KHK (0.50) CYP1A2SLC34A1PLK1LMNAAR
SCHEMBL27034812 0.67 MAPK13 (0.39) GRM2LMNAMEN1NPC1KMT2A

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-20090124607-A1 Novel Bicyclic Sulfonamides for Use as Glucocorticoid Receptor Modulators in the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-05-14 US disclosed
EP-1940800-A1 NOVEL BICYCLIC SULFONAMIDES FOR USE AS GLUCOCORTICOID RECEPTOR MODULATORS IN THE TREATMENT OF INFLAMMATORY DISEASES Astra Zeneca AB (SE) 2008-07-09 EP disclosed
WO-2007046747-A1 NOVEL BICYCLIC SULFONAMIDES FOR USE AS GLUCOCORTICOID RECEPTOR MODULATORS IN THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2007-04-26 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-20090124607-A1 Novel Bicyclic Sulfonamides for Use as Glucocorticoid Receptor Modulators in the Treatment of Inflammatory Diseases NR3C1, NR3C2, MC2R CYP1A2 579/4885CYP2C9 314/4885CYP19A1 601/4885

“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.