SCHEMBL5451247

SCHEMBL5451247

N#CCc1nc(-c2ccncc2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.52
GRK2 P25098 11/20 0.52
PDE10A Q9Y233 1/20 0.45
XDH P47989 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
JAK2 O60674 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2228076 0.85 NR1H2 (0.60) ROCK2GRK2NR1H2NR1H3
SCHEMBL2221104 0.82 NR1H2 (0.41) ROCK2GRK2NR1H2NR1H3
SCHEMBL2227534 0.82 RET (0.57) ROCK2GRK2NR1H2NR1H3
SCHEMBL5444694 0.81 SMN1; SMN2 (0.54) ROCK2GRK2NR1H2NR1H3KDM4E
SCHEMBL4789632 0.77 ROCK2 (0.56) ROCK2GRK2PDE10ANR1H2NR1H3
SCHEMBL14289634 0.77 ROCK2 (0.64) ROCK2GRK2
Bromide SCHEMBL4788732 0.76 ROCK2 (0.55) ROCK2GRK2PDE10ANR1H2NR1H3
Hydrochloric Acid SCHEMBL4789635 0.76 ROCK2 (0.55) ROCK2GRK2PDE10ANR1H2NR1H3
Hydrochloric Acid SCHEMBL5118063 0.75 ROCK2 (0.62) ROCK2GRK2
SCHEMBL7910285 0.75 ROCK2 (0.56) ROCK2GRK2PDE10ANR1H2NR1H3

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 ROCK2 4471/4885GRK2 2142/4885PDE10A 1884/4885

“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.