SCHEMBL5452647

SCHEMBL5452647

Cc1c(-c2ccccc2)c(Cl)n2nc(C3CC3)nc2c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
LMNA P02545 1/20 0.43
ADORA2A P29274 3/20 0.41
ADRA2A P08913 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRM5 P41594 2/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
PDE4A P27815 1/20 0.38
ACHE P22303 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL5441224 0.83 LMNA (0.48) ALDH1A1KDM4EHPGDLMNAADORA2A
SCHEMBL5450251 0.82 LMNA (0.47) ALDH1A1KDM4EHPGDLMNAADORA2A
SCHEMBL5444536 0.81 LMNA (0.47) ALDH1A1KDM4EHPGDLMNAADORA2A
SCHEMBL5453328 0.80 HSP90AA1 (0.47) ALDH1A1KDM4EHPGDLMNAADORA2A
SCHEMBL5440146 0.79 LMNA (0.44) ALDH1A1KDM4EHPGDLMNAADORA2A
SCHEMBL5441180 0.79 LMNA (0.44) ALDH1A1KDM4EHPGDLMNAADORA2A
SCHEMBL5449932 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDLMNAADORA2A
SCHEMBL5447458 0.79 LMNA (0.45) ALDH1A1KDM4EHPGDLMNAADORA2A
SCHEMBL5444608 0.78 HPGD (0.48) ALDH1A1KDM4EHPGDLMNAADORA2A
SCHEMBL5445231 0.77 KDM4E (0.43) ALDH1A1KDM4EHPGDLMNAADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191395-A1 Heterocyclic compounds having antifungal activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1717238-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 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-20070191395-A1 Heterocyclic compounds having antifungal activity ERG28, MANBA, MAN2B1 PDE4D 2449/4885ALDH1A1 1357/4885KDM4E 3019/4885

“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.