SCHEMBL6660146

SCHEMBL6660146

N#Cc1ccccc1-n1ccc2cc(Br)ccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.43
CXCR4 P61073 1/20 0.42
ROCK1 Q13464 1/20 0.42
PTK2 Q05397 1/20 0.37
ENPP3 O14638 1/20 0.37
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
FABP4 P15090 1/20 0.35
PTGES O14684 1/20 0.35
BRD1 O95696 1/20 0.35
BRPF1 P55201 1/20 0.35
AR P10275 1/20 0.34
CYP2A6 P11509 1/20 0.34
MCL1 Q07820 1/20 0.34
CDC7 O00311 1/20 0.34
LMNA P02545 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL1270502 0.82 MAT2A (0.44) PTK2ENPP3KMT2AKDM4EHTR2A
SCHEMBL28037181 0.82 MAOB (0.43) HSP90AA1ROCK1PTK2ENPP3KMT2A
SCHEMBL30097476 0.81 BIRC5 (0.43) HSP90AA1ROCK1PTK2ENPP3KMT2A
SCHEMBL699112 0.81 BIRC5 (0.43) HSP90AA1ROCK1PTK2ENPP3KMT2A
SCHEMBL7555058 0.79 ROCK1 (0.45) ROCK1PTK2KMT2AKDM4EHTR2C
SCHEMBL6845146 0.78 RXRA (0.48) KMT2AKDM4ELMNA
SCHEMBL28894018 0.77 HSP90AA1 (0.45) HSP90AA1CXCR4ROCK1HTR2AHTR2C
SCHEMBL15745363 0.77 HSP90AA1 (0.45) HSP90AA1CXCR4ROCK1PTK2KDM4E
SCHEMBL16383852 0.77 KMT2A (0.43) PTK2KMT2AKDM4EBRD1BRPF1
SCHEMBL695256 0.75 KMT2A (0.37) ROCK1PTK2ENPP3KMT2AKDM4E

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-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-11-25 US disclosed
EP-1432698-A2 SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027094-A2 SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors CYP17A1, IDO1, CYP21A2 HSP90AA1 4404/4885CXCR4 3724/4885ROCK1 1126/4885

“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.