SCHEMBL5459933

SCHEMBL5459933

Cc1c(-c2ccc(F)cc2)c(N2CCCC2N(C)C)n2nc(C(C)(C)C)nc2c1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
KDM4E B2RXH2 6/20 0.32
NPSR1 Q6W5P4 3/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK13 O15264 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
GRIA2 P42262 2/20 0.31
GRIA4 P48058 2/20 0.31

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
SCHEMBL5447271 0.91 LRRK2 (0.34) HPGDKDM4ENPSR1LMNAPOLB
SCHEMBL5451079 0.88 MAPT (0.32) HPGDKDM4ENPSR1LMNAPOLB
SCHEMBL5450209 0.85 MAT2A (0.33) LRRK2
SCHEMBL5450154 0.84 USP30 (0.34) HPGDKDM4ENPSR1LMNAPOLB
SCHEMBL5455766 0.84 KDM4E (0.32) HPGDKDM4EPOLBALDH1A1MAPT
SCHEMBL5444668 0.83 LMNA (0.33) HPGDKDM4ELMNAL3MBTL1HTT
SCHEMBL5459935 0.83 HPGD (0.41) HPGDKDM4ENPSR1LMNAPOLB
SCHEMBL5447457 0.82 USP30 (0.36) HPGDKDM4ELMNAALDH1A1MAPT
SCHEMBL5458301 0.80 GRM5 (0.36) HPGDKDM4ENPSR1LMNAPOLB
SCHEMBL5442795 0.79 GRM5 (0.35) HPGDKDM4ENPSR1LMNAPOLB

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 HPGD 1448/4885KDM4E 3019/4885NPSR1 3826/4885

“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.