SCHEMBL5442736

SCHEMBL5442736

Cc1c(-c2ccccc2)c(N2CCCC2N(C)C)n2nc(C3CC3)nc2c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GRM5 P41594 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
AADAT Q8N5Z0 1/20 0.33
GAA P10253 2/20 0.32
GRIA2 P42262 1/20 0.32
GRIA4 P48058 1/20 0.32
ADRA2A P08913 2/20 0.32
ADORA2A P29274 2/20 0.32

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
SCHEMBL5458301 0.90 GRM5 (0.36) ALDH1A1HPGDKDM4EGRM5NPC1
SCHEMBL5442795 0.89 GRM5 (0.35) ALDH1A1HPGDKDM4EGRM5NPC1
SCHEMBL5447395 0.88 LMNA (0.35) ALDH1A1HPGDKDM4EGRM5NPC1
SCHEMBL5446968 0.88 LMNA (0.35) ALDH1A1HPGDKDM4EGRM5NPC1
SCHEMBL5458145 0.88 LMNA (0.35) ALDH1A1HPGDKDM4EGRM5NPC1
SCHEMBL5447397 0.88 LMNA (0.35) ALDH1A1HPGDKDM4EGRM5NPC1
SCHEMBL5442755 0.87 MAPT (0.35) ALDH1A1HPGDKDM4EGRM5NPC1
SCHEMBL5439991 0.86 USP30 (0.34) ALDH1A1HPGDKDM4EGRM5NPC1
SCHEMBL5444083 0.86 GRM5 (0.34) ALDH1A1HPGDKDM4EGRM5NPC1
SCHEMBL5444472 0.86 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EGRM5NPC1

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 1357/4885HPGD 1448/4885

“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.