SCHEMBL4563349

SCHEMBL4563349

Cc1cccc(-c2c[nH]c(=O)nc2N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.51
LRRK2 Q5S007 3/20 0.45
RAB9A P51151 5/20 0.45
ADORA1 P30542 3/20 0.44
ADORA2A P29274 2/20 0.44
CDK9 P50750 2/20 0.43
CHEK1 O14757 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
NTRK1 P04629 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
CSF1R P07333 1/20 0.43
MET P08581 1/20 0.43
PDGFRB P09619 1/20 0.43
PIM1 P11309 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
PRKACA P17612 1/20 0.43
LTK P29376 1/20 0.43

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
SCHEMBL4915150 0.83 MAPT (0.42) XDHNTRK1MAP2K1AURKBALDH1A1
SCHEMBL4563321 0.82 DHFR (0.54) LRRK2ADORA1ADORA2ACHEK1MAP4K4
SCHEMBL4562986 0.82 MAP4K4 (0.47) LRRK2CDK9MAP4K4PIM1PRKACA
SCHEMBL3485241 0.80 PARP1 (0.47) XDHLRRK2MAP4K4CSF1RFGFR1
SCHEMBL4563212 0.78 XDH (0.54) XDHADORA1ADORA2ACDK9PIM1
SCHEMBL11743569 0.76 LRRK2 (0.49) XDHLRRK2RAB9AADORA1ADORA2A
SCHEMBL4563179 0.75 XDH (0.57) XDHADORA1ADORA2APIM1TYRO3
SCHEMBL2349960 0.71 XDH (0.53) XDHRAB9ANPC1ALDH1A1MAPT
SCHEMBL8107168 0.71 LRRK2 (0.62) LRRK2CDK9MAP4K4ABL1NTRK1
SCHEMBL13680655 0.70 LYN (0.57) XDHRAB9ACDK9FYNCLK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318491-A1 Cytisine and Acetylcholine Analogs and Methods of Treating Mood Disorders YALE UNIVERISTY (US) 2009-12-24 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 (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-20090318491-A1 Cytisine and Acetylcholine Analogs and Methods of Treating Mood Disorders CHRNA1, CHRNA5, CHRNA10 XDH 372/4885LRRK2 2996/4885RAB9A 1690/4885

“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.