SCHEMBL4783457

SCHEMBL4783457

CC(C)(NC(=O)O)c1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 1/20 0.40
CES2 O00748 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
IKBKE Q14164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GPR35 Q9HC97 1/20 0.38
PDE2A O00408 1/20 0.37
P2RX1 P51575 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
NR2E1 Q9Y466 1/20 0.37
TACR1 P25103 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL545623 0.87 CAMK1D (0.41) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL23113552 0.86 POLB (0.39) HDAC3HDAC6MAPTRXRARXRB
SCHEMBL5475672 0.81 RAF1 (0.39) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL5220073 0.78 GAA (0.50) MAPTCES2ALDH1A1P2RX1LMNA
SCHEMBL14493273 0.77 TSHR (0.41) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL2338206 0.76 GABRA1 (0.44) HDAC3HDAC1HDAC6MAPTRXRA
SCHEMBL529254 0.73 EPHX2 (0.42) MAPTALDH1A1PDE2ALMNAKDM4E
SCHEMBL130383 0.73 TSHR (0.56) MAPTCES2ALDH1A1GAANR2E1
SCHEMBL17713890 0.72 P2RX1 (0.42) MAPTCES2RXRARXRBALDH1A1
SCHEMBL12475154 0.72 GPR35 (0.56) MAPTIKBKEALDH1A1GPR35P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530193-B2 Kinase inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2022-12-20 US disclosed
EP-3793996-A1 KINASE INHIBITORS The University of Manchester (GB) 2021-03-24 EP disclosed
US-10562899-B2 Fused tricyclic urea compounds as Raf kinase and/or Raf kinase dimer inhibitors BEIGENE, LTD. (KY) 2020-02-18 US disclosed
US-20190144446-A1 FUSED TRICYCLIC UREA COMPOUNDS AS RAF KINASE AND/OR RAF KINASE DIMER INHIBITORS BEONE MEDICINES I GMBH (CH) 2019-05-16 US disclosed
US-10208038-B2 Fused tricyclic urea compounds as Raf kinase and/or Raf kinase dimer inhibitors BEIGENE, LTD. (KY) 2019-02-19 US disclosed
US-20180282326-A1 FUSED TRICYCLIC UREA COMPOUNDS AS RAF KINASE AND/OR RAF KINASE DIMER INHIBITORS BEONE MEDICINES I GMBH (CH) 2018-10-04 US disclosed
EP-3013798-B1 FUSED TRICYCLIC UREA COMPOUNDS AS RAF KINASE AND/OR RAF KINASE DIMER INHIBITORS BEIGENE LTD (KY) 2018-06-27 EP disclosed
US-9920055-B2 Fused tricyclic urea compounds as raf kinase and/or raf kinase dimer inhibitors BEIGENE, LTD. (KY) 2018-03-20 US disclosed
US-20170233391-A1 FUSED TRICYCLIC UREA COMPOUNDS AS RAF KINASE AND/OR RAF KINASE DIMER INHIBITORS BEONE MEDICINES I GMBH (CH) 2017-08-17 US disclosed
US-9670203-B2 Fused tricyclic urea compounds as Raf kinase and/or Raf kinase dimer inhibitors BEIGENE, LTD. (KY) 2017-06-06 US disclosed
US-20160368914-A1 FUSED TRICYCLIC UREA COMPOUNDS AS RAF KINASE AND/OR RAF KINASE DIMER INHIBITORS BEONE MEDICINES I GMBH (CH) 2016-12-22 US disclosed
EP-3013798-A1 FUSED TRICYCLIC UREA COMPOUNDS AS RAF KINASE AND/OR RAF KINASE DIMER INHIBITORS BeiGene, Ltd. (KY) 2016-05-04 EP disclosed
WO-2014206343-A1 FUSED TRICYCLIC UREA COMPOUNDS AS RAF KINASE AND/OR RAF KINASE DIMER INHIBITORS BEIGENE, LTD. (GB) 2014-12-31 WO disclosed
EP-1957460-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-08-20 EP disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 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 (8 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-20160368914-A1 FUSED TRICYCLIC UREA COMPOUNDS AS RAF KINASE AND/OR RAF KINASE DIMER INHIBITORS BRAF, RAF1, ARAF HDAC3 1597/4885HDAC1 780/4885HDAC2 1364/4885
US-20180282326-A1 FUSED TRICYCLIC UREA COMPOUNDS AS RAF KINASE AND/OR RAF KINASE DIMER INHIBITORS BRAF, RAF1, ARAF HDAC3 1597/4885HDAC1 780/4885HDAC2 1364/4885
US-20190144446-A1 FUSED TRICYCLIC UREA COMPOUNDS AS RAF KINASE AND/OR RAF KINASE DIMER INHIBITORS BRAF, RAF1, ARAF HDAC3 1597/4885HDAC1 780/4885HDAC2 1364/4885
US-11530193-B2 Kinase inhibitors CAMKK2, CAMK1, CAMKK1 HDAC3 860/4885HDAC1 1101/4885HDAC2 426/4885
US-20170233391-A1 FUSED TRICYCLIC UREA COMPOUNDS AS RAF KINASE AND/OR RAF KINASE DIMER INHIBITORS BRAF, RAF1, ARAF HDAC3 1597/4885HDAC1 780/4885HDAC2 1364/4885
US-10208038-B2 Fused tricyclic urea compounds as Raf kinase and/or Raf kinase dimer inhibitors BRAF, RAF1, ARAF HDAC3 1597/4885HDAC1 780/4885HDAC2 1364/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 HDAC3 802/4885HDAC1 599/4885HDAC2 626/4885
US-10562899-B2 Fused tricyclic urea compounds as Raf kinase and/or Raf kinase dimer inhibitors BRAF, RAF1, ARAF HDAC3 1597/4885HDAC1 780/4885HDAC2 1364/4885

“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.