SCHEMBL5451380

SCHEMBL5451380

CCc1c(-c2ccccc2)c(C#N)c2nc(C(C)(C)C)nn2c1N1CCCC1N(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
DNMT1 P26358 2/20 0.34
USP30 Q70CQ3 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AADAT Q8N5Z0 1/20 0.32
GRIA2 P42262 3/20 0.32
GRIA4 P48058 3/20 0.32
ACHE P22303 1/20 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
SCHEMBL5460510 0.90 DNMT1 (0.34) KDM4EDNMT1USP30LMNAALDH1A1
SCHEMBL5439991 0.88 USP30 (0.34) KDM4EUSP30LMNAALDH1A1HPGD
SCHEMBL5451388 0.84 MAPK8 (0.38) KDM4EDNMT1HDAC3HDAC4HDAC1
SCHEMBL5453256 0.84 KDM4E (0.39) KDM4EALDH1A1HPGDNPSR1MEN1
SCHEMBL5444668 0.81 LMNA (0.33) KDM4EUSP30LMNAALDH1A1HPGD
SCHEMBL5450154 0.80 USP30 (0.34) KDM4EDNMT1USP30LMNAALDH1A1
SCHEMBL5452907 0.80 BCL6 (0.36) KDM4EUSP30LMNAALDH1A1HPGD
SCHEMBL5446947 0.80 TSHR (0.33) KDM4EALDH1A1HPGDNPSR1MEN1
SCHEMBL5447271 0.79 LRRK2 (0.34) KDM4ELMNAALDH1A1HPGDNPSR1
SCHEMBL5459933 0.79 HPGD (0.35) KDM4ELMNAALDH1A1HPGDNPSR1

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 KDM4E 3019/4885DNMT1 4035/4885USP30 4607/4885

“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.