SCHEMBL9925919

SCHEMBL9925919

CC[C@@H](Nc1nc(Cl)nc2[nH]cnc12)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.36
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 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
SCHEMBL9884944 1.00 XDH (0.36) XDHADORA3ADORA2AADORA1
SCHEMBL9884947 1.00 XDH (0.36) XDHADORA3ADORA2AADORA1
SCHEMBL9925923 0.86 LRRK2 (0.38) XDHADORA3ADORA2AADORA1
SCHEMBL12186857 0.86 LRRK2 (0.38) XDHADORA3ADORA2AADORA1
SCHEMBL9884946 0.86 LRRK2 (0.38) XDHADORA3ADORA2AADORA1
SCHEMBL9885035 0.84 NPSR1 (0.32)
SCHEMBL10264365 0.84 NPSR1 (0.32)
SCHEMBL251985 0.84 NPSR1 (0.32)
SCHEMBL252006 0.84 ADORA2A (0.42) XDHADORA3ADORA2AADORA1
SCHEMBL10264084 0.83 TLR8 (0.37)

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-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US 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 (2 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-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA XDH 3120/4885ADORA3 903/4885ADORA2A 1787/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A XDH 2416/4885ADORA3 366/4885ADORA2A 1252/4885

“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.