SCHEMBL246142

SCHEMBL246142

CC(C)Oc1ccc(-c2cnc(Cl)cc2N)cc1F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.48
FEN1 P39748 5/20 0.48
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
P2RX3 P56373 1/20 0.42
FFAR4 Q5NUL3 7/20 0.41
MAP4K4 O95819 1/20 0.39
S1PR1 P21453 2/20 0.39
TRPV3 Q8NET8 1/20 0.37
NAAA Q02083 1/20 0.36
AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL247109 0.86 ALDH1A1 (0.47) ALOX5APFEN1KCNQ3KCNQ2
SCHEMBL252272 0.77 ALK (0.47) ALOX5APFEN1P2RX3
SCHEMBL25000951 0.72 P2RX3 (0.40) ALOX5APFEN1KCNQ3KCNQ2P2RX3
SCHEMBL16574085 0.71 KCNQ3 (0.39) ALOX5APFEN1KCNQ3KCNQ2P2RX3
SCHEMBL27440493 0.71 PDGFRB (0.49) KCNQ3KCNQ2
SCHEMBL30630871 0.71 PDGFRB (0.49) KCNQ3KCNQ2
SCHEMBL15308524 0.70 ALOX5AP (0.47) ALOX5APFEN1KCNQ3KCNQ2S1PR1
SCHEMBL12591809 0.69 NAAA (0.43) ALOX5APFEN1KCNQ3KCNQ2FFAR4
SCHEMBL17657954 0.69 ALOX5AP (0.46) ALOX5APFEN1KCNQ3KCNQ2MAP4K4
SCHEMBL2229809 0.68 ALDH1A1 (0.42) ALOX5APFEN1KCNQ3KCNQ2P2RX3

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 6 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
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US 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
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 ALOX5AP 426/4885FEN1 4863/4885KCNQ3 3748/4885

“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.