SCHEMBL6444890

SCHEMBL6444890

CCO/C(=N\C#N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GRM6 O15303 1/20 0.39
IDO1 P14902 1/20 0.38
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 2/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6444893 1.00 POLB (0.47) POLBMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL9531037 0.81 L3MBTL1 (0.43) POLBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9531042 0.81 L3MBTL1 (0.43) POLBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL9529116 0.81 LMNA (0.46) POLBMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL3455077 0.79 POLB (0.52) POLBKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL3455076 0.79 POLB (0.52) POLBKMT2ANPC1SMN1; SMN2MAPT
SCHEMBL9530274 0.79 NPSR1 (0.42) POLBMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL9272603 0.78 POLB (0.43) POLBMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6920338 0.77 MEN1 (0.44) POLBMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL9531671 0.77 KDM4E (0.43) MEN1KMT2ANPC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261327-B1 ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2005-04-27 EP disclosed
US-6586441-B2 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders HOFFMAN-LA ROCHE INC. 2003-07-01 US disclosed
EP-1261327-A2 ADENOSINE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 US disclosed
WO-2001062233-A2 ADENOSINE RECEPTOR MODULATORS F. HOFFMANN LA ROCHE AG (CH) 2001-08-30 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-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease ADORA2A, ADORA2B, ADORA1 POLB 1978/4885MEN1 4860/4885KMT2A 2463/4885

“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.