SCHEMBL5444644

SCHEMBL5444644

Cc1nc(-c2c(C)c(C#N)c3nccn3c2Cl)cs1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PIK3CG P48736 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
MDM2 Q00987 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5444613 0.78 GAA (0.35) GAAKDM4ERXFP1NPSR1L3MBTL1
SCHEMBL5444079 0.75 ADORA2A (0.44) KDM4ERXFP1PIK3CGNPSR1L3MBTL1
SCHEMBL6312317 0.75 MAPT (0.41) GAAKDM4ENPSR1NPC1LMNA
SCHEMBL5451528 0.74 KDM1A (0.40)
SCHEMBL5451527 0.74 KDM1A (0.33)
SCHEMBL6310676 0.73 MAPT (0.59) GAAKDM4ERXFP1NPSR1NPC1
SCHEMBL5439279 0.68 RAB9A (0.53) GAAKDM4EPIK3CGNPSR1L3MBTL1
SCHEMBL6310683 0.67 KDM4E (0.36) GAAKDM4ENPSR1L3MBTL1NPC1
SCHEMBL5439314 0.67 KDM4E (0.39) GAAKDM4ERXFP1NPC1MAPT
SCHEMBL5449171 0.65 KDM4E (0.42) GAAKDM4ENPSR1L3MBTL1NPC1

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 GAA 23/4885KDM4E 3019/4885RXFP1 4160/4885

“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.