SCHEMBL4562986

SCHEMBL4562986

Nc1nc(=O)[nH]cc1-c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.47
CDK2 P24941 2/20 0.47
CDC7 O00311 2/20 0.47
PIM1 P11309 2/20 0.47
GSK3B P49841 2/20 0.47
HIPK2 Q9H2X6 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
ROCK2 O75116 1/20 0.47
PRKACA P17612 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK9 P50750 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
STK4 Q13043 1/20 0.41
STK3 Q13188 1/20 0.41

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) MEN1MAPTKMT2ANOTUM
SCHEMBL4563349 0.82 XDH (0.51) MAP4K4CDK2PIM1GSK3BCLK4
SCHEMBL4563321 0.82 DHFR (0.54) MAP4K4MEN1KMT2ASTK4STK3
SCHEMBL4563212 0.81 XDH (0.54) CDK2CDC7PIM1CCNT1CCNA2
SCHEMBL3485241 0.80 PARP1 (0.47) MAP4K4CDK2CLK4KDM4EMEN1
SCHEMBL4563179 0.78 XDH (0.57) PIM1
SCHEMBL4353306 0.71 LRRK2 (0.62) MAP4K4CDK2CDC7PIM1GSK3B
SCHEMBL1388331 0.70 DHFR (0.67) MAP4K4CDK2KDM4EMEN1MAPT
SCHEMBL18748036 0.69 ADORA2A (0.57) MAP4K4KDM4EMEN1MAPTKMT2A
SCHEMBL5065086 0.69 IMPDH2 (0.44) CDK2CDC7PIM1CCNT1CCNA2

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 3 patents. 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
EP-1976519-A2 CYTISINE AND ACETYLCHOLINE ANALOGS AND METHODS OF TREATING MOOD DISORDERS Yale University (US) 2008-10-08 EP disclosed
WO-2007100430-A2 CYTISINE AND ACETYLCHOLINE ANALOGS AND METHODS OF TREATING MOOD DISORDERS YALE UNIVERSITY (US) 2007-09-07 WO 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 MAP4K4 1661/4885CDK2 1866/4885CDC7 1023/4885

“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.