SCHEMBL6034734

SCHEMBL6034734

O=C(O)Nc1cnccc1C#CCO

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.40
KDM4C Q9H3R0 13/20 0.40
KDM6B O15054 7/20 0.40
KDM4D Q6B0I6 4/20 0.40
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
CYP2D6 P10635 4/20 0.37
CYP2A6 P11509 4/20 0.37
CYP2E1 P05181 3/20 0.37
CYP2C8 P10632 3/20 0.37
CYP2B6 P20813 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
KDM4E B2RXH2 1/20 0.35
KDM4A O75164 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35

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
SCHEMBL6034096 0.83 CYP2A6 (0.44) MELKKDM4CKDM6BKDM4DKDM5A
SCHEMBL6034128 0.80 KDM4E (0.41) MELKKDM4CKDM6BKDM4DKDM4E
SCHEMBL17336208 0.79 ALDH1A1 (0.45) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL15821567 0.72 RARB (0.48) KDM4CKDM4E
SCHEMBL15881093 0.72 KDM4C (0.39) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL6034958 0.70 KDM4C (0.40) KDM4CKDM6BKDM4DKDM5AKDM5B
SCHEMBL2033252 0.70 KDM4C (0.50) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL30600744 0.70 KDM4C (0.50) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL19211781 0.69 KDM4C (0.39) KDM4CKDM6BKDM4DCYP2D6CYP2A6
SCHEMBL5827069 0.68 KDM4C (0.46) KDM4CKDM6BKDM4DKDM5AKDM5B

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
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 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-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL MELK 1329/4885KDM4C 1462/4885KDM6B 1235/4885

“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.