SCHEMBL5452566

SCHEMBL5452566

Cc1c(-c2ccccc2)c(N2CCCC2N(C)C)n2nc(-c3cccnc3)nc2c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.39
POLB P06746 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
KDM4E B2RXH2 3/20 0.38
UCHL1 P09936 1/20 0.36
USP30 Q70CQ3 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CES2 O00748 1/20 0.35
GBA1 P04062 4/20 0.34
DYRK1A Q13627 1/20 0.34
CYP11B2 P19099 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 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 0.92 GRM5 (0.35) RXFP1POLBKDM4EHTTHSD17B10
SCHEMBL5459949 0.92 POLB (0.34) RXFP1POLBPIK3CDPIK3CAPIK3CG
SCHEMBL5458301 0.86 GRM5 (0.36) RXFP1POLBKDM4EUCHL1USP30
SCHEMBL5441173 0.85 ADORA3 (0.40) RXFP1POLBPIK3CDPIK3CAPIK3CG
SCHEMBL5442736 0.84 PDE4D (0.37) RXFP1KDM4EUCHL1USP30HTT
SCHEMBL5452570 0.83 POLB (0.40) RXFP1POLBKDM4EUCHL1USP30
SCHEMBL5447395 0.83 LMNA (0.35) KDM4EUCHL1USP30HTTHSD17B10
SCHEMBL5439991 0.83 USP30 (0.34) RXFP1POLBKDM4EUCHL1USP30
SCHEMBL5446968 0.83 LMNA (0.35) RXFP1POLBKDM4EUCHL1USP30
SCHEMBL5444083 0.83 GRM5 (0.34) RXFP1POLBKDM4EUCHL1USP30

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 RXFP1 4160/4885POLB 2910/4885PIK3CD 2772/4885

“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.