SCHEMBL432890

SCHEMBL432890

NC(CO)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
AOC3 Q16853 1/20 0.42
GBA1 P04062 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CNR2 P34972 1/20 0.41
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40

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
SCHEMBL30800833 1.00 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL30559591 1.00 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL1464027 1.00 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL30818125 1.00 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL8513883 1.00 HDAC4 (0.44) HDAC4HDAC7HDAC5IDO1TDO2
Hydrochloric Acid SCHEMBL10276702 0.98 IDO1 (0.47) HDAC4HDAC7HDAC5IDO1TDO2
Hydrochloric Acid SCHEMBL1439297 0.98 IDO1 (0.47) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL20445784 0.85 HDAC4 (0.42) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL20445783 0.85 HDAC4 (0.42) HDAC4HDAC7HDAC5IDO1TDO2
SCHEMBL25196113 0.82 HDAC4 (0.40) HDAC4HDAC7HDAC5IDO1TDO2

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 123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 EP claimed
US-6743791-B2 ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-06-01 US claimed
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 EP claimed
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 US claimed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 WO claimed
EP-4516778-A1 COMPOUND SERVING AS DDR1 KINASE INHIBITOR, AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2025-03-05 EP disclosed
US-20240409535-A1 SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE GENENTECH, INC. (US) 2024-12-12 US disclosed
US-20240317738-A1 SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE GENENTECH, INC. (US) 2024-09-26 US disclosed
CN-118239948-A Solid forms and methods of making fused tricyclic compounds, including methods of use thereof 豪夫迈·罗氏有限公司 2024-06-25 CN disclosed
CN-118005929-A Polyether modified polysiloxane and preparation method thereof, high-performance defoamer and preparation method thereof 科之杰新材料集团有限公司 2024-05-10 CN disclosed
CN-117946107-A Solid forms and methods of making fused tricyclic compounds, including methods of use thereof 豪夫迈·罗氏有限公司 2024-04-30 CN disclosed
CN-117777463-A Polyether modified polysiloxane and preparation method thereof, defoamer and preparation method thereof 科之杰新材料集团有限公司 2024-03-29 CN disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-11-18 US disclosed
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 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 (6 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-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP HDAC4 1302/4885HDAC7 1499/4885HDAC5 1596/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS HDAC4 1238/4885HDAC7 1176/4885HDAC5 1513/4885
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 HDAC4 3125/4885HDAC7 2171/4885HDAC5 2489/4885
US-20240409535-A1 SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE TP53, DPYD, FLI1 HDAC4 1859/4885HDAC7 3136/4885HDAC5 2684/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 HDAC4 3125/4885HDAC7 2171/4885HDAC5 2489/4885
US-20240317738-A1 SOLID FORMS OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL AND PROCESSES FOR PREPARING FUSED TRICYCLIC COMPOUNDS COMPRISING A SUBSTITUTED PHENYL OR PYRIDINYL MOIETY, INCLUDING METHODS OF THEIR USE TP53, DPYD, FLI1 HDAC4 1859/4885HDAC7 3136/4885HDAC5 2684/4885

“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.