SCHEMBL1856970

SCHEMBL1856970

Cc1ccc(-c2n[nH]c(N)c2F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.42
TDO2 P48775 1/20 0.38
PTGS2 P35354 7/20 0.38
PIK3CA P42336 3/20 0.37
MTOR P42345 2/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
PTGS1 P23219 2/20 0.35
CNR2 P34972 1/20 0.33
NFKB1 P19838 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
SCHEMBL1854897 0.80 ADORA2B (0.44) TDO2PIK3CAMTORPIK3CDPIK3CB
SCHEMBL21775849 0.80 MEN1 (0.47) PIK3CAGAAKMT2APIK3CDPIK3CB
Hydrochloric Acid SCHEMBL1858316 0.79 ADORA2B (0.43) TDO2PIK3CAMTORPIK3CDPIK3CB
SCHEMBL21775854 0.73 ALPL (0.44) GAAKMT2ANPC1RAB9A
SCHEMBL16068645 0.72 ALDH1A1 (0.53) GAAKMT2ANPC1RAB9AGSK3A
SCHEMBL13162522 0.70 HPGDS (0.45) HPGDSTDO2PTGS2PIK3CAMTOR
SCHEMBL21775713 0.70 MKNK1 (0.46) KMT2ANPC1RAB9AMAPK14
SCHEMBL1855729 0.70 PIM1 (0.51) PIK3CAMTORPRMT5WDR77GAA
Hydrochloric Acid SCHEMBL1854301 0.69 PIM1 (0.50) PIK3CAMTORPRMT5WDR77GAA
SCHEMBL1853610 0.69 NPC1 (0.54) PIK3CAMTORKMT2APIK3CDPIK3CB

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
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 EP disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 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-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 HPGDS 2149/4885TDO2 3143/4885PTGS2 1913/4885

“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.