SCHEMBL6164466

SCHEMBL6164466

COc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)c(F)c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.78
RAB9A P51151 5/20 0.72
TDP1 Q9NUW8 1/20 0.71
HSP90AA1 P07900 1/20 0.68
KMT2A Q03164 3/20 0.64
MEN1 O00255 1/20 0.64
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
HPGD P15428 1/20 0.62
NPC1 O15118 3/20 0.60
USP2 O75604 1/20 0.60
HSD17B10 Q99714 1/20 0.60
GAA P10253 1/20 0.59
ATM Q13315 1/20 0.57
TRPV1 Q8NER1 1/20 0.56
BCHE P06276 1/20 0.56

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
SCHEMBL6164179 0.86 POLB (0.67) POLBRAB9ATDP1KMT2AMEN1
SCHEMBL6164125 0.85 POLB (0.65) POLBRAB9ATDP1KMT2AMEN1
SCHEMBL6162317 0.85 POLB (0.74) POLBRAB9ATDP1KMT2AMEN1
SCHEMBL6163817 0.82 POLB (0.55) POLBRAB9ATDP1HSP90AA1KMT2A
SCHEMBL6165715 0.82 POLB (0.55) POLBRAB9ATDP1HSP90AA1KMT2A
SCHEMBL6163699 0.82 POLB (0.55) POLBRAB9ATDP1HSP90AA1KMT2A
SCHEMBL6164385 0.82 RAB9A (0.80) POLBRAB9ATDP1KMT2AKDM4E
SCHEMBL6165849 0.80 POLB (0.67) POLBRAB9ATDP1KMT2AMEN1
SCHEMBL6161790 0.80 KMT2A (0.83) POLBRAB9ATDP1KMT2AKDM4E
SCHEMBL6162031 0.78 POLB (1.00) POLBRAB9ATDP1KMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337523-B1 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORP (US) 2005-10-19 EP claimed
US-20040048867-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2004-03-11 US claimed
EP-1337523-A2 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORPORATION (US) 2003-08-27 EP claimed
US-20020161008-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2002-10-31 US claimed
WO-2002014269-A2 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORPORATION (US) 2002-02-21 WO claimed
US-6559163-B2 Agonists, antagonists or inverse agonists for GABAA brain receptors; useful in diagnosis and treatment of anxiety, depression NEUROGEN CORPORATION 2003-05-06 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 (2 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-20020161008-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 POLB 1324/4885RAB9A 628/4885TDP1 745/4885
US-20040048867-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 POLB 1324/4885RAB9A 628/4885TDP1 745/4885

“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.