SCHEMBL5458301

SCHEMBL5458301

Cc1nc2c(C#N)c(C)c(-c3ccccc3)c(N3CCCC3N(C)C)n2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AADAT Q8N5Z0 1/20 0.34
ADORA2A P29274 3/20 0.34
ADRA2A P08913 2/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRIA2 P42262 2/20 0.34
GRIA4 P48058 2/20 0.34

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
SCHEMBL5442795 0.91 GRM5 (0.35) GRM5ALDH1A1KDM4EHPGDLMNA
SCHEMBL5442736 0.90 PDE4D (0.37) GRM5ALDH1A1KDM4EHPGDLMNA
SCHEMBL5446968 0.89 LMNA (0.35) GRM5ALDH1A1KDM4EHPGDLMNA
SCHEMBL5444083 0.89 GRM5 (0.34) GRM5ALDH1A1KDM4EHPGDLMNA
SCHEMBL5447395 0.89 LMNA (0.35) GRM5ALDH1A1KDM4EHPGDLMNA
SCHEMBL5439991 0.89 USP30 (0.34) GRM5ALDH1A1KDM4EHPGDLMNA
SCHEMBL5450856 0.88 ALDH1A1 (0.35) GRM5ALDH1A1KDM4EHPGDLMNA
SCHEMBL5447397 0.88 LMNA (0.35) GRM5ALDH1A1KDM4EHPGDLMNA
SCHEMBL5458145 0.88 LMNA (0.35) GRM5ALDH1A1KDM4EHPGDLMNA
SCHEMBL5442755 0.87 MAPT (0.35) GRM5ALDH1A1KDM4EHPGDLMNA

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 GRM5 3837/4885ALDH1A1 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.