SCHEMBL16739031

SCHEMBL16739031

COc1c(Br)ccc2c1[nH]c(=O)n2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.51
RXFP1 Q9HBX9 1/20 0.43
TP53 P04637 2/20 0.43
PDE2A O00408 3/20 0.40
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
LMNA P02545 1/20 0.36
DAO P14920 1/20 0.36
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAOB P27338 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 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
SCHEMBL31473379 0.77 RXFP1 (0.49) BRD4RXFP1PDE2APDE3BPDE3A
SCHEMBL16739018 0.76 RXFP1 (0.40) BRD4RXFP1PDE2APDE3BPDE3A
SCHEMBL7884503 0.73 RXFP1 (0.47) RXFP1PDE2APDE3BPDE3ACSNK2A2
SCHEMBL626494 0.71 RXFP1 (0.43) BRD4RXFP1TP53PDE2APDE3B
SCHEMBL16738871 0.71 RXFP1 (0.40) BRD4RXFP1PDE2APDE3BPDE3A
SCHEMBL194512 0.70 DAO (0.69) BRD4RXFP1LMNADAOMAPT
SCHEMBL16739006 0.69 ALDH1A1 (0.41) BRD4RXFP1PDE2APDE3BPDE3A
SCHEMBL16739014 0.69 BRD4 (1.00) BRD4BRD2
SCHEMBL4589419 0.68 CA12 (0.53) LMNAKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL18149218 0.68 ALOX5 (0.39) BRD4TP53MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9918990-B2 Substituted pyrrolo[2,3-c]pyridines and pyrazolo[3,4-c]pyridines as BET protein inhibitors INCYTE CORPORATION (US) 2018-03-20 US disclosed
US-9918990-B2 Substituted pyrrolo[2,3-c]pyridines and pyrazolo[3,4-c]pyridines as BET protein inhibitors INCYTE CORPORATION (US) 2018-03-20 US disclosed
US-20170014418-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2017-01-19 US disclosed
US-20170014418-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2017-01-19 US disclosed
US-20170014418-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2017-01-19 US disclosed
US-9399640-B2 Substituted pyrrolo[2,3-c]pyridines and pyrazolo[3,4-c]pyridines as BET protein inhibitors INCYTE CORPORATION (US) 2016-07-26 US disclosed
US-9399640-B2 Substituted pyrrolo[2,3-c]pyridines and pyrazolo[3,4-c]pyridines as BET protein inhibitors INCYTE CORPORATION (US) 2016-07-26 US disclosed
US-9399640-B2 Substituted pyrrolo[2,3-c]pyridines and pyrazolo[3,4-c]pyridines as BET protein inhibitors INCYTE CORPORATION (US) 2016-07-26 US disclosed
WO-2015081203-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-04 WO disclosed
US-20150148342-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 US disclosed
US-20150148342-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 US disclosed
US-20150148342-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 US 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-20170014418-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 BRD4 4/4885RXFP1 4144/4885TP53 381/4885
US-20150148342-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 BRD4 4/4885RXFP1 4144/4885TP53 381/4885

“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.