SCHEMBL247916

SCHEMBL247916

COCC1CCCN1c1nc2cc(F)cc(F)c2c(Cl)c1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.45
ADORA2A P29274 14/20 0.40
ADORA1 P30542 11/20 0.40
NMT1 P30419 2/20 0.37
PDE10A Q9Y233 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
CTNNB1 P35222 1/20 0.36
TCF7L2 Q9NQB0 1/20 0.36
MAP4K1 Q92918 1/20 0.35

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
SCHEMBL3403635 1.00 CRHR1 (0.45) CRHR1ADORA2AADORA1NMT1PDE10A
SCHEMBL3413292 1.00 CRHR1 (0.45) CRHR1ADORA2AADORA1NMT1PDE10A
SCHEMBL248326 0.78 KMT2A (0.41)
SCHEMBL248471 0.75 TRPV1 (0.38)
SCHEMBL248470 0.75 TRPV1 (0.38)
SCHEMBL248998 0.75 TRPV1 (0.38)
SCHEMBL2125290 0.74 PIK3CA (0.47) PDE10ACYP1A2
SCHEMBL2712082 0.71 GAA (0.40)
SCHEMBL2712183 0.71 ALK (0.37) CYP1A2
SCHEMBL2712128 0.70 HRH4 (0.48)

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-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 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-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 CRHR1 4647/4885ADORA2A 1268/4885ADORA1 3485/4885

“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.