SCHEMBL1694653

SCHEMBL1694653

CCN(CC)C(=O)c1cc2c(F)cccc2nc1CN

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TACR1 P25103 1/20 0.37
TSPO P30536 1/20 0.37
COMT P21964 1/20 0.37

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
SCHEMBL1694665 0.84 KMT2A (0.42) ALDH1A1HPGDLMNATDP1KDM4E
SCHEMBL10147631 0.81 KDM4E (0.44) ALDH1A1HPGDTDP1KDM4E
SCHEMBL1694667 0.81 ALDH1A1 (0.40) ALOX5APFEN1ALDH1A1HPGDLMNA
SCHEMBL10147609 0.78 PARP1 (0.41) TDP1
SCHEMBL1694712 0.75 PIK3CD (0.41)
SCHEMBL1694902 0.74 KDM4E (0.40) ALDH1A1TDP1KDM4EPOLB
SCHEMBL1694796 0.73 TLR8 (0.36) ALDH1A1HPGDLMNAKDM4ETACR1
SCHEMBL10761618 0.72 TACR3 (0.53) ALOX5APFEN1ALDH1A1HPGDLMNA
SCHEMBL24951562 0.70 KDM4E (0.47) ALDH1A1HPGDTDP1KDM4E
SCHEMBL31133550 0.70 KDM4E (0.47) ALDH1A1HPGDTDP1KDM4E

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-2588467-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-04 US disclosed
US-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-04 US disclosed
US-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-04 US disclosed
WO-2012003274-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003274-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-20130085131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, BCL9 ALOX5AP 449/4885FEN1 4877/4885ALDH1A1 3436/4885

“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.