SCHEMBL4844677

SCHEMBL4844677

Brc1cnc2[nH]c(-c3ccc(OCCNC4CCCC4)cc3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 5/20 0.45
TBK1 Q9UHD2 3/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
FOXM1 Q08050 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHEK2 O96017 1/20 0.37
AURKB Q96GD4 1/20 0.37
IKBKE Q14164 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL4844409 0.92 ALDH1A1 (0.46) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL4834728 0.91 CHEK2 (0.40) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL4838842 0.87 HTR1A (0.39) TBK1CHEK2AURKBIKBKE
SCHEMBL4837690 0.87 HTR1A (0.39) TBK1CHEK2AURKBIKBKE
SCHEMBL4840752 0.86 TBK1 (0.44) KDM4ECYP1A2CYP2D6CYP2C19TBK1
SCHEMBL5260412 0.86 CHEK2 (0.41) KDM4EALDH1A1TBK1CHEK2
Trifluoroacetic Acid SCHEMBL4843340 0.85 CHEK2 (0.40) KDM4EALDH1A1KMT2AMEN1CHEK2
SCHEMBL6218461 0.83 TBK1 (0.44) ALDH1A1TBK1KMT2AMEN1CHEK2
SCHEMBL5258478 0.83 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2CHEK2
SCHEMBL4839519 0.82 ACHE (0.41) TBK1

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-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP claimed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 US claimed
US-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 KDM4E 2903/4885CYP1A2 1343/4885CYP2D6 1106/4885

“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.