SCHEMBL6447679

SCHEMBL6447679

C=Cn1cccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.41
KDR P35968 3/20 0.36
MAP4K4 O95819 2/20 0.36
PRKACA P17612 2/20 0.36
CDK8 P49336 2/20 0.36
MAP2K1 Q02750 2/20 0.36
MAP4K2 Q12851 2/20 0.36
ROCK1 Q13464 2/20 0.36
DYRK1A Q13627 2/20 0.36
AURKB Q96GD4 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
CHEK1 O14757 1/20 0.36
CSF1R P07333 1/20 0.36
ACVR1 Q04771 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL12081976 0.91 DAPK3 (0.32) PCSK9MAP2K1DYRK1BCSF1RGAA
SCHEMBL6445284 0.78 PCSK9 (0.41) PCSK9KDRMAP4K4PRKACACDK8
SCHEMBL2253018 0.76 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL22654576 0.71 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL2251173 0.70 LMNA (0.43) PCSK9ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16152323 0.65 PCSK9 (0.45) PCSK9KDRMAP4K4PRKACACDK8
SCHEMBL13317702 0.65
SCHEMBL20981454 0.65
SCHEMBL6443245 0.65
SCHEMBL6444709 0.65 PCSK9 (0.73) PCSK9KDRMAP4K4PRKACACDK8

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-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 PCSK9 61/4885KDR 4473/4885MAP4K4 4664/4885

“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.