SCHEMBL20169984

SCHEMBL20169984

O=C(/C=C/c1ccc2c(c1)CCNC2)Nc1cn(Cc2cc(F)c(F)c(F)c2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.36
KCNH2 Q12809 1/20 0.36
TAS2R8 Q9NYW2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PLAU P00749 1/20 0.35
EGFR P00533 1/20 0.34
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
DHODH Q02127 1/20 0.33
P2RX7 Q99572 1/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC4 P56524 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 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
SCHEMBL20162136 0.84 HDAC1 (0.41) HDAC1KCNH2TAS2R8ALDH1A1MAPT
SCHEMBL20162120 0.84 TAS2R8 (0.49) TAS2R8PLAUWNT1GSK3BDYRK1A
SCHEMBL20169940 0.80 HDAC1 (0.51) HDAC1KCNH2TAS2R8ALDH1A1MAPT
SCHEMBL20169989 0.79 MAP3K5 (0.47) TAS2R8WNT1GSK3BDYRK1ARIPK1
SCHEMBL20162172 0.79 TAS2R8 (0.35) TAS2R8WNT1GSK3BDYRK1ARIPK1
SCHEMBL20330457 0.78 EGFR (0.42) HDAC1ALDH1A1MAPTHPGDEGFR
SCHEMBL20330429 0.78 TAS2R8 (0.37) TAS2R8WNT1GSK3BDYRK1AP2RX7
SCHEMBL20162176 0.78 TAS2R8 (0.40) TAS2R8WNT1GSK3BDYRK1ARIPK1
SCHEMBL20162118 0.77 TAS2R8 (0.36) TAS2R8WNT1GSK3BDYRK1ARIPK1
SCHEMBL20162167 0.77 MELK (0.46) PLAU

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294237-B2 Bicyclic heterocyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-05-21 US disclosed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 US disclosed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 US disclosed
EP-3323809-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2018-05-23 EP 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 (2 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-10294237-B2 Bicyclic heterocyclic amide derivative NR0B1, NR2E1, NR0B2 HDAC1 27/4885KCNH2 2201/4885TAS2R8 2479/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 HDAC1 27/4885KCNH2 2201/4885TAS2R8 2479/4885

“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.