SCHEMBL3600911

SCHEMBL3600911

CC(F)(F)c1cccc(C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.54
PARP1 P09874 7/20 0.53
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
CES2 O00748 1/20 0.52
KIF11 P52732 3/20 0.48
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
SRD5A2 P31213 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44

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
SCHEMBL27989141 0.85 PARP1 (0.57) ACHEPARP1CES2KIF11MAPT
SCHEMBL179447 0.85 ACHE (0.62) ACHEPARP1KIF11MAPTKMT2A
SCHEMBL27621589 0.85 CES2 (0.71) PARP1CES2MAPTNPSR1SRD5A2
SCHEMBL171684 0.85 CES2 (0.71) PARP1CES2MAPTNPSR1SRD5A2
SCHEMBL30112011 0.83 PARP1 (0.55) ACHEPARP1CES2KIF11MAPT
SCHEMBL21132592 0.83 ACHE (0.56) ACHETAS1R3TAS1R1CES2KIF11
SCHEMBL29408183 0.83 SRD5A2 (0.57) ACHETAS1R3TAS1R1CES2KIF11
Hydrochloric Acid SCHEMBL1267321 0.83 CES2 (0.69) PARP1CES2MAPTNPSR1SRD5A2
SCHEMBL3932481 0.83 SRD5A2 (0.57) ACHETAS1R3TAS1R1CES2KIF11
Hydrochloric Acid SCHEMBL4372373 0.83 CES2 (0.69) PARP1CES2MAPTNPSR1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US claimed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US claimed
US-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases NOVARTIS AG (CH) 2009-01-29 US claimed
EP-1996558-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP claimed
EP-1996578-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP claimed
WO-2008009487-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2008-01-24 WO claimed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 WO claimed
US-12539295-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2026-02-03 US disclosed
US-20240131016-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-04-25 US disclosed
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11707457-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-07-25 US disclosed
US-20210228562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-07-29 US disclosed
US-20210228562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-07-29 US disclosed
WO-2021127190-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127190-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
US-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases NOVARTIS AG (CH) 2009-01-29 US disclosed
EP-1996578-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP disclosed
WO-2008009487-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2008-01-24 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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS ACHE 4870/4885PARP1 3604/4885TAS1R3 2482/4885
US-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases PHKG1, MAP3K20, CDK2 ACHE 4742/4885PARP1 621/4885TAS1R3 4394/4885
US-12539295-B2 IRAK degraders and uses thereof IRAK2, IRAK4, IRAK3 ACHE 4164/4885PARP1 1234/4885TAS1R3 1348/4885
US-20240131016-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ACHE 2778/4885PARP1 85/4885TAS1R3 2583/4885
US-20210228562-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ACHE 2778/4885PARP1 85/4885TAS1R3 2583/4885
US-11779578-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ACHE 2778/4885PARP1 85/4885TAS1R3 2583/4885
US-11707457-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 ACHE 2778/4885PARP1 85/4885TAS1R3 2583/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 ACHE 4767/4885PARP1 589/4885TAS1R3 4527/4885

“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.