SCHEMBL5451528

SCHEMBL5451528

Cc1nc(-c2c(C)c(C#N)c3nccn3c2N2CC[C@H](N(C)C)C2)cs1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 17/20 0.40
JAK3 P52333 2/20 0.34
JAK2 O60674 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33

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
SCHEMBL5455817 0.83 USP30 (0.32) CTSLCTSBCTSS
SCHEMBL5455810 0.83 USP30 (0.32) CTSLCTSBCTSS
SCHEMBL5451527 0.82 KDM1A (0.33) KDM1A
SCHEMBL5440186 0.81 KDM1A (0.44) KDM1A
SCHEMBL6309930 0.81 DYRK1A (0.37) KDM1AJAK3JAK2
SCHEMBL6310995 0.79 ALDH1A1 (0.45)
SCHEMBL5446923 0.76 KDM1A (0.41) KDM1A
SCHEMBL5444644 0.74 GAA (0.37)
SCHEMBL5444607 0.74 KDM1A (0.41) KDM1A
SCHEMBL5448349 0.72 MAPK8 (0.35) CTSLCTSBCTSS

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 KDM1A 2300/4885JAK3 4116/4885JAK2 3230/4885

“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.